[Columbus] Installing Columbus with OpenMolcas

Hans Lischka hans.lischka at univie.ac.at
Thu Jun 9 11:35:27 EDT 2022


!-------------------------------------------------------------------|
  This Message Is From an External Sender
  This message came from outside your organization.
|-------------------------------------------------------------------!

Congratulations!
If you need information/help on running the parallel program 
efficiently, don't hesitate to ask.

On 6/9/2022 1:27 AM, Zihan Pengmei via Columbus wrote:
> Dear all, Just successfully compiled it with openmolcas, really 
> appreciated to all of your help here! It’s really important to configure 
> the global array and let it compile intel MKL first and then separately 
> using this GA build to compile
> 
> Dear all,
> 
>                  Just successfully compiled it with openmolcas, really 
> appreciated to all of your help here! It’s really important to configure 
> the global array and let it compile intel MKL first and then separately 
> using this GA build to compile serial and parallel molcas, and finally 
> come back to the columbus. Some version of intel compiler and mpi didn’t 
> work out for me.
> 
> Again, much appreciated for help!
> 
> Zihan
> 
> *From: *Columbus <columbus-bounces at lists.osc.edu> on behalf of 
> columbus-request at lists.osc.edu <columbus-request at lists.osc.edu>
> *Date: *Wednesday, June 8, 2022 at 2:47 PM
> *To: *columbus at lists.osc.edu <columbus at lists.osc.edu>
> *Subject: *Columbus Digest, Vol 112, Issue 8
> 
> Send Columbus mailing list submissions to
>          columbus at lists.osc.edu
> 
> To subscribe or unsubscribe via the World Wide Web, visit
> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
> or, via email, send a message with subject or body 'help' to
>          columbus-request at lists.osc.edu
> 
> You can reach the person managing the list at
>          columbus-owner at lists.osc.edu
> 
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of Columbus digest..."
> 
> 
> Today's Topics:
> 
>     1. _Re: Installing Columbus with OpenMolcas (Zihan Pengmei)
> 
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Wed, 8 Jun 2022 19:46:43 +0000
> From: Zihan Pengmei <zpengmei at uchicago.edu>
> To: "columbus at lists.osc.edu" <columbus at lists.osc.edu>
> Subject: Re: [Columbus] Installing Columbus with OpenMolcas
> Message-ID:
>          
> <LV2PR11MB59972C957FCAB075244426CBBAA49 at LV2PR11MB5997.namprd11.prod.outlook.com>
> 
> Content-Type: text/plain; charset="windows-1252"
> 
> Hi all,
> 
> Thank you all for kind advice! Sadly I still can?t work this out today, 
> a bit summary here:
> 
> 
>    1.  I did fresh install of GA as Felix pointed out
>    2.  I freshly compiled two OpenMolcas from Felix?s gitlab, one 
> sequential (--compiler intel ?mkl $MKLROOT), one parallel (--compiler 
> intel ?mkl $MKLROOT ?mpi ?GA $GAROOT), using exactly the same compiler 
> and newly installed GA
>    3.  Cpan standard grad installations are successful
>    4.  Parallel fails
> 
> I attached config and logs here, I tried to supply either MOLCAS or 
> PMOLCAS but they didn?t work.
> 
> Much appreciated for all of those effort and support from the community!
> Zihan
> 
> Install.config:
> 
> 
> GREP /bin/grep
> 
> GMAKE gmake
> 
> TAR /bin/tar
> 
> RANLIB /usr/bin/ranlib
> 
> CPPL cpp -E -traditional
> 
> BLASLIBRARY   -Wl,--start-group 
> ${MKLROOT}/lib/intel64/libmkl_intel_ilp64.a 
> ${MKLROOT}/lib/intel64/libmkl_sequential.a 
> ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread -lm -ldl
> 
> LAPACKLIBRARY -Wl,--start-group 
> ${MKLROOT}/lib/intel64/libmkl_intel_ilp64.a 
> ${MKLROOT}/lib/intel64/libmkl_sequential.a 
> ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread -lm -ldl
> 
> MACHINEID linux64.ifc
> 
> GUNZIP /bin/gunzip
> 
> GACOMMUNICATION MPI
> 
> MPI_MAINDIR /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274
> 
> MPI_CC  
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/bin/mpicc
> 
> MPI_LD 
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/bin/mpif77 
> -z muldefs
> 
> MPI_FC 
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/bin/mpif90 
> -z muldefs
> 
> PSCRIPT
> 
> GAVERSION GA53
> 
> VMOLCAS 8.0
> 
> MOLCAS  /Apps/COLUMBUS/parallel/OpenMolcas/builds/intel_normal_mkl
> 
> PMOLCAS  /Apps/COLUMBUS/parallel/OpenMolcas/builds/intel_normal_mpi_ga_mkl
> 
> MPI_LIBS 
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a
> 
> MPI_STARTUP 
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/bin 
> mpirun -np _NPROC_  _EXE_ _EXEOPTS_
> 
> COLUMBUS /Apps/COLUMBUS/parallel/Columbus
> 
> DALTON  /Apps/COLUMBUS/parallel/Columbus/source/dalton
> 
> COLUMBUSVERSION 7.0
> 
> INSTALLOPTION NOGA_INSTALL
> 
> Install.log.parallel:
> 
> 
> ===== ./colinstall.sh: pciudg =====
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:22: INCFILE= 
> Apps/COLUMBUS/parallel/Columbus/machine.cfg/linux64.ifc
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:50: GAVERSION=GA53:
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:65: PMAKE= yes
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:69: setting DKEYWORDSLOCAL 1  
> to -DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 
> -DBLAS3 -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT 
> -DGA50 -DMOLCAS_LABEL10  -DPARALLEL -DMPI
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:70: setting CPPDIRLOCAL 1  to 
> -I Apps/COLUMBUS/parallel/Columbus/source/dalton/include -DCOLUMBUS  
> -DSYS_LINUX -DPTR64 -Df90  -DVAR_BLAS3 -DINT64  -DPARALLEL -DMPI
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:81: setting DKEYWORDSLOCAL 3  
> to -DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 
> -DBLAS3 -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT 
> -DGA50 -DMOLCAS_LABEL10  -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:82: LIBMOLCAS set to $LIBMOLCAS
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:85: PLIBS= 
> Apps/COLUMBUS/parallel/Columbus/libga.a  
> Apps/COLUMBUS/parallel/Columbus/libarmci.a  
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:90: setting PLIBS to  
> Apps/COLUMBUS/parallel/Columbus/libga.a  
> Apps/COLUMBUS/parallel/Columbus/libarmci.a  
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:91: setting LIBS to  
> Apps/COLUMBUS/parallel/Columbus/colib.a  
> Apps/COLUMBUS/parallel/Columbus/blaswrapper.a -Wl,--start-group 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a 
> -Wl,--end-group -lpthread -lm -ldl   -Wl,--start-group 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a 
> -Wl,--end-group -lpthread -lm -ldl
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:92: setting LIBS2 to  
> Apps/COLUMBUS/parallel/Columbus/colib.a  
> Apps/COLUMBUS/parallel/Columbus/libmolcas_col.a  
> Apps/COLUMBUS/parallel/Columbus/blaswrapper.a -Wl,--start-group 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a 
> -Wl,--end-group -lpthread -lm -ldl   -Wl,--start-group 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a 
> -Wl,--end-group -lpthread -lm -ldl
> 
>   Apps/COLUMBUS/parallel/Columbus/makefile:105: cpp WITH_REDIRECTON  ::
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_data.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 molcaswrapper.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_matutil.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_gautil.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_ioutil.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_drtutil.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_utils.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64  -i8 -O0 -g -noautomatic 
> ciudg_loop.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_setup.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 maksortmod.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 cisrtmod.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_diag.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_allin.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_fourex_mod.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_threx.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_twoext.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_onext.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_spinorbit.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_oneden.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_twoden.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg_main.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 drivercid.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 driver.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 driversize.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 driverwrap.F90
> 
> ifort -c   -nowarn  -mkl=sequential -free -DJSC -DUNIX -DLINUX 
> -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 
> -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10  
> -DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64 -i8 -O2 ciudg.F90
> 
> $MPI_LD -o pciudg.x ciudg_data.o molcaswrapper.o ciudg_matutil.o 
> ciudg_gautil.o ciudg_ioutil.o ciudg_drtutil.o ciudg_utils.o ciudg_loop.o 
> ciudg_setup.o maksortmod.o cisrtmod.o   ciudg_diag.o ciudg_allin.o  
> ciudg_fourex_mod.o ciudg_threx.o ciudg_twoext.o ciudg_onext.o 
> ciudg_allin.o ciudg_diag.o ciudg_spinorbit.o ciudg_oneden.o 
> ciudg_twoden.o ciudg_main.o drivercid.o driver.o driversize.o 
> driverwrap.o ciudg.o   Apps/COLUMBUS/parallel/Columbus/libdalton2.a  
> Apps/COLUMBUS/parallel/Columbus/libga.a  
> Apps/COLUMBUS/parallel/Columbus/libarmci.a 
> /software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a   
> -Wl,--start-group 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a 
> -Wl,--end-group -lpthread -lm -ldl  
> Apps/COLUMBUS/parallel/Columbus/colib.a  Apps/COLUMBUS/par
>   allel/Columbus/libmolcas_col.a  
> Apps/COLUMBUS/parallel/Columbus/blaswrapper.a -Wl,--start-group 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a 
> -Wl,--end-group -lpthread -lm -ldl   -Wl,--start-group 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a 
> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a 
> -Wl,--end-group -lpthread -lm -ldl
> 
> /usr/lib/gcc/x86_64-redhat-linux/8/../../../../lib64/crt1.o: In function 
> `_start':
> 
> (.text+0x24): undefined reference to `main'
> 
> molcaswrapper.o: In function `molcaswrapper_mp_mcget_iarray_':
> 
> molcaswrapper.F90:(.text+0xbc): undefined reference to 
> `for_check_mult_overflow64'
> 
> molcaswrapper.F90:(.text+0x12c): undefined reference to 
> `for_alloc_allocatable'
> 
> molcaswrapper.F90:(.text+0x21f): undefined reference to 
> `for_dealloc_allocatable?
> ??.
> 
> blaswrapper.f:(.text+0x653): undefined reference to `_intel_fast_memcpy'
> 
> /project/lgagliardi/shared/Apps/COLUMBUS/parallel/Columbus/blaswrapper.a(blaswrapper.o): 
> In function `icopy_wr_':
> 
> blaswrapper.f:(.text+0x833): undefined reference to `_intel_fast_memcpy'
> 
> collect2: error: ld returned 1 exit status
> 
> gmake: *** 
> [/project/lgagliardi/shared/Apps/COLUMBUS/parallel/Columbus/makefile:388: pciudg.x] 
> Error 1
> 
> + for i in $*
> 
> + cp pciudg.x 
> /project/lgagliardi/shared/Apps/COLUMBUS/parallel/Columbus/pciudg.x
> 
> cp: cannot stat 'pciudg.x': No such file or directory
> 
> 
> 
> From: Columbus <columbus-bounces+zpengmei=uchicago.edu at lists.osc.edu> on 
> behalf of columbus-request at lists.osc.edu <columbus-request at lists.osc.edu>
> Date: Wednesday, June 8, 2022 at 8:43 AM
> To: columbus at lists.osc.edu <columbus at lists.osc.edu>
> Subject: Columbus Digest, Vol 112, Issue 7
> Send Columbus mailing list submissions to
>          columbus at lists.osc.edu
> 
> To subscribe or unsubscribe via the World Wide Web, visit
> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
> or, via email, send a message with subject or body 'help' to
>          columbus-request at lists.osc.edu
> 
> You can reach the person managing the list at
>          columbus-owner at lists.osc.edu
> 
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of Columbus digest..."
> 
> 
> Today's Topics:
> 
>     1. Re: Installing Columbus with OpenMolcas (Felix Plasser)
> 
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Wed, 8 Jun 2022 13:42:00 +0000
> From: Felix Plasser <F.Plasser at lboro.ac.uk>
> To: "columbus at lists.osc.edu" <columbus at lists.osc.edu>
> Subject: Re: [Columbus] Installing Columbus with OpenMolcas
> Message-ID: <e6e72104-3234-81ce-a822-8ab312f5315a at lboro.ac.uk>
> Content-Type: text/plain; charset="utf-8"
> 
> Hi, just a quick comment on this:
> 
> I would use "sockets" for single-node usage.
> 
> MPI-PR is better for multinode usage but, as far as I remember, MPI-PR
> requires a slight modification in the source code (at some point we
> should include that as a preprocessor option).
> 
> TCGMSG is more of a historical option, I think.
> 
> -Felix
> 
> On 07/06/2022 22:01, Hans Lischka via Columbus wrote:
>>
>>
>> Maybe, you should request "static". There is a library libs (or
>> something similar) in the GA installation. You should find the libraries
>> there.
>> Don't use tcgmsg! Use MPI-PR
>>
>> On 6/7/2022 2:47 PM, Zihan Pengmei via Columbus wrote:
>>> Hi Felix, I followed the instructions, reinstalled the GA and redownload
>>> the code, the error is still there. I think the major problem is I don?t
>>> have those GA library files(libma, libglobal, libtcgmsg-mpi.a ) after
>>> building the GA package.
>>>
>>> Hi Felix,
>>>
>>> I followed the instructions, reinstalled the GA and redownload the code,
>>> the error is still there. I think the major problem is I don?t have
>>> those GA library files(libma, libglobal, libtcgmsg-mpi.a ) after
>>> building the GA package. I used the following command: ../configure
>>> MPICC=mpiicc CC=icc F77=ifort F90=ifort MPICXX=mpiicpc MPIF77=mpiifort
>>> MPIF90=mpiifort CXX=icpc
>>> --with-mpi=/software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274
>>>
>>> --with-ma --with-global --with-tcgmsg --with-tcgmsg-mpi --with-sockets
>>> --with-blas=-mkl --with-lapack=-mkl
>>>
>>> Any suggestions?
>>>
>>> Thanks,
>>>
>>> Zihan
>>>
>>> *From: *Zihan Pengmei <zpengmei at uchicago.edu>
>>> *Date: *Tuesday, June 7, 2022 at 10:02 AM
>>> *To: *columbus at lists.osc.edu <columbus at lists.osc.edu>
>>> *Subject: *Re: Installing Columbus with OpenMolcas
>>>
>>> Hi all,
>>>
>>> Much appreciated for all of advice! I actually later found this problem
>>> and successfully compiled the sequential version, but failed at
>>> installing PARALLEL.
>>>
>>> I built an OpenMolcas with intel_GA_mkl_mpi options and gave a keywork
>>> PMOLCAS with the route. Just to clarify, I am building a 7.0.2 source
>>> code, and the install.log.parallel warned it can?t find pciudg under
>>> source folder. Then, I copied this pciudg folder from 7.0 source code,
>>> but triggering the following error:
>>>
>>> (it seems those GA libraries are still needed, but I didn?t find them
>>> anywhere in my GA build, is there any special flag that I should add
>>> when compiling?)
>>>
>>> (Sorry for bothering on this, because I am running on cluster so it?s
>>> not easy to use precompiled 7.1 version.)
>>>
>>> ===== ./colinstall.sh: pciudg =====
>>>
>>> /zpengmei/columbus/Columbus/makefile:22: INCFILE=
>>> /zpengmei/columbus/Columbus/machine.cfg/linux64.ifc
>>>
>>> /zpengmei/columbus/Columbus/makefile:50: GAVERSION=GA58:
>>>
>>> /zpengmei/columbus/Columbus/makefile:65: PMAKE= yes
>>>
>>> /zpengmei/columbus/Columbus/makefile:69: setting DKEYWORDSLOCAL 1to
>>> -DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3
>>> -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50
>>> -DMOLCAS_LABEL10-DPARALLEL -DMPI
>>>
>>> /zpengmei/columbus/Columbus/makefile:70: setting CPPDIRLOCAL 1to -I
>>> /zpengmei/columbus/Columbus/source/dalton/include -DCOLUMBUS-DSYS_LINUX
>>> -DPTR64 -Df90-DVAR_BLAS3 -DINT64-DPARALLEL -DMPI
>>>
>>> /zpengmei/columbus/Columbus/makefile:81: setting DKEYWORDSLOCAL 3to
>>> -DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3
>>> -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50
>>> -DMOLCAS_LABEL10-DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64
>>>
>>> /zpengmei/columbus/Columbus/makefile:82: LIBMOLCAS set to $LIBMOLCAS
>>>
>>> /zpengmei/columbus/Columbus/makefile:85: PLIBS=
>>> /zpengmei/columbus/Columbus/libglobal.a/zpengmei/columbus/Columbus/libarmci.a/zpengmei/columbus/Columbus/libtcgmsg-mpi.a
>>>
>>> /zpengmei/columbus/Columbus/libma.a/software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a
>>>
>>>
>>> /zpengmei/columbus/Columbus/makefile:90: setting PLIBS
>>> to/zpengmei/columbus/Columbus/libglobal.a/zpengmei/columbus/Columbus/libarmci.a/zpengmei/columbus/Columbus/libtcgmsg-mpi.a
>>>
>>> /zpengmei/columbus/Columbus/libma.a/software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a
>>>
>>>
>>> /zpengmei/columbus/Columbus/makefile:91: setting LIBS
>>> to/zpengmei/columbus/Columbus/colib.a/zpengmei/columbus/Columbus/blaswrapper.a
>>>
>>> -Wl,--start-group
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a
>>>
>>> -Wl,--end-group -lpthread -lm -ldl -Wl,--start-group
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a
>>>
>>> -Wl,--end-group -lpthread -lm -ldl
>>>
>>> /zpengmei/columbus/Columbus/makefile:92: setting LIBS2
>>> to/zpengmei/columbus/Columbus/colib.a/zpengmei/columbus/Columbus/libmolcas_col.a/zpengmei/columbus/Columbus/blaswrapper.a
>>>
>>> -Wl,--start-group
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a
>>>
>>> -Wl,--end-group -lpthread -lm -ldl -Wl,--start-group
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a
>>>
>>> -Wl,--end-group -lpthread -lm -ldl
>>>
>>> /zpengmei/columbus/Columbus/makefile:105: cpp WITH_REDIRECTON::
>>>
>>> $MPI_LD -o pciudg.x ciudg_data.o molcaswrapper.o ciudg_matutil.o
>>> ciudg_gautil.o ciudg_ioutil.o ciudg_drtutil.o ciudg_utils.o ciudg_loop.o
>>> ciudg_setup.o maksortmod.o cisrtmod.o ciudg_diag.o
>>> ciudg_allin.ociudg_fourex_mod.o ciudg_threx.o ciudg_twoext.o
>>> ciudg_onext.o ciudg_allin.o ciudg_diag.o ciudg_spinorbit.o
>>> ciudg_oneden.o ciudg_twoden.o ciudg_main.o drivercid.o driver.o
>>> driversize.o driverwrap.o ciudg.o
>>> /zpengmei/columbus/Columbus/libdalton2.a/zpengmei/columbus/Columbus/libglobal.a/zpengmei/columbus/Columbus/libarmci.a/zpengmei/columbus/Columbus/libtcgmsg-mpi.a
>>>
>>> /zpengmei/columbus/Columbus/libma.a/software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a
>>>
>>> -Wl,--start-group
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a
>>>
>>> -Wl,--end-group -lpthread -lm
>>> -ldl/zpengmei/columbus/Columbus/colib.a/zpengmei/columbus/Columbus/libmolcas_col.a/zpengmei/columbus/Columbus/blaswrapper.a
>>>
>>> -Wl,--start-group
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a
>>>
>>> -Wl,--end-group -lpthread -lm -ldl -Wl,--start-group
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_intel_ilp64.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_sequential.a
>>>
>>> /software/intel/parallel_studio_xe_2020_update1/mkl/lib/intel64/libmkl_core.a
>>>
>>> -Wl,--end-group -lpthread -lm -ldl
>>>
>>> gfortran: error:/zpengmei/columbus/Columbus/libglobal.a: No such file or
>>> directory
>>>
>>> gfortran: error:/zpengmei/columbus/Columbus/libtcgmsg-mpi.a: No such
>>> file or directory
>>>
>>> gfortran: error:/zpengmei/columbus/Columbus/libma.a: No such file or
>>> directory
>>>
>>> gmake: *** [ /zpengmei/columbus/Columbus/makefile:388: pciudg.x] Error 1
>>>
>>> + for i in $*
>>>
>>> + cp pciudg.x/zpengmei/columbus/Columbus/pciudg.x
>>>
>>> cp: cannot stat 'pciudg.x': No such file or directory
>>>
>>> Much appreciated!
>>>
>>> Zihan Pengmei
>>>
>>> *From: *Columbus <columbus-bounces+zpengmei=uchicago.edu at lists.osc.edu>
>>> on behalf of columbus-request at lists.osc.edu
>>> <columbus-request at lists.osc.edu>
>>> *Date: *Tuesday, June 7, 2022 at 9:18 AM
>>> *To: *columbus at lists.osc.edu <columbus at lists.osc.edu>
>>> *Subject: *Columbus Digest, Vol 112, Issue 2
>>>
>>> Send Columbus mailing list submissions to
>>> ???????? columbus at lists.osc.edu
>>>
>>> To subscribe or unsubscribe via the World Wide Web, visit
>>> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
>>> <https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>>
>>> or, via email, send a message with subject or body 'help' to
>>> ???????? columbus-request at lists.osc.edu
>>>
>>> You can reach the person managing the list at
>>> ???????? columbus-owner at lists.osc.edu
>>>
>>> When replying, please edit your Subject line so it is more specific
>>> than "Re: Contents of Columbus digest..."
>>>
>>>
>>> Today's Topics:
>>>
>>> ??? 1. Re: Installing Columbus with OpenMolcas (Hans Lischka)
>>> ??? 2. Re: Installing Columbus with OpenMolcas (Felix Plasser)
>>>
>>>
>>> ----------------------------------------------------------------------
>>>
>>> Message: 1
>>> Date: Mon, 6 Jun 2022 13:03:40 -0500
>>> From: Hans Lischka <hans.lischka at univie.ac.at>
>>> To: columbus at lists.osc.edu
>>> Subject: Re: [Columbus] Installing Columbus with OpenMolcas
>>> Message-ID: <a4fb80f2-4d90-0e3a-19db-59944b0ac590 at univie.ac.at>
>>> Content-Type: text/plain; charset="UTF-8"; format=flowed
>>>
>>> Hi Zihan,
>>>
>>> Here is my interpretation of the problem:
>>> The file libma.a is missing in the loading process (should be in
>>> /zpengmei/columbus/Columbus/libma.a). This is GA library. You should
>>> find this file (and two others, like libga.a and a third one) in the
>>> libs directory of the GA installation. Copy them to the main Columbus
>>> directory
>>>
>>> Best regards, Hans
>>>
>>> On 6/5/2022 9:35 PM, Zihan Pengmei via Columbus wrote:
>>>> Dear Columbus developers, I am trying to compile a Columbus 7.0.2
>>>> interfacing with openmolcas and sharc on the cluster(with intel
>>>> compiler, mkl2020, intelmpi/2018.4), but having the following
>>>> complaint:
>>>> ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
>>>> ? ? ?
>>>>
>>>> Dear Columbus developers,
>>>>
>>>> ? ??????????????? I am trying to compile a Columbus 7.0.2 interfacing
>>>> with openmolcas and sharc on the cluster(with intel compiler, mkl2020,
>>>> intelmpi/2018.4), but having the following complaint:
>>>>
>>>> e_2020_update1/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread
>>>> -lm -ldl /zpengmei/columbus/Columbus/libma.a
>>>>
>>>> ifort: error #10236: File not
>>>> found:'/zpengmei/columbus/Columbus/libma.a'
>>>>
>>>> gmake: *** [/zpengmei/columbus/Columbus/makefile:345: molcas.a] Error 1
>>>>
>>>> ? ??????????????? Just to clarify, I did git clone and compiled the
>>>> openmolcas for columbus 7 from gitlab, one parallel version with
>>>> intelmpi, mkl , intel compiler and ga 5.8.2, and another serial version
>>>> with intel compiler, mkl.
>>>>
>>>> In install.config, I tried MOLCAS/PMOLCAS both keywords with
>>>> corresponding versions, but neither of them worked out and came up with
>>>> this warning when installing standard.
>>>>
>>>> ? ??????????????? I checked openmolcas/libs and ga/libs and I didn?t
>>>> find
>>>> libma.a anywhere. Any help would be very useful!
>>>>
>>>> Thanks,
>>>>
>>>> Zihan Pengmei
>>>>
>>>>
>>>> _______________________________________________
>>>> Columbus mailing list
>>>> Columbus at lists.osc.edu
>>>> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
>>> <https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>>
>>>
>>>
>>>
>>> ------------------------------
>>>
>>> Message: 2
>>> Date: Tue, 7 Jun 2022 14:17:34 +0000
>>> From: Felix Plasser <F.Plasser at lboro.ac.uk>
>>> To: "columbus at lists.osc.edu" <columbus at lists.osc.edu>
>>> Subject: Re: [Columbus] Installing Columbus with OpenMolcas
>>> Message-ID: <0d3fc882-a1be-0890-4057-c315ab687fca at lboro.ac.uk>
>>> Content-Type: text/plain; charset="utf-8"
>>>
>>> Hi, I just remembered what this is. libma.a is only relevant for older
>>> versions of Molcas. You can deactivate libma.a by setting in
>>> install.config:
>>>
>>> VMOLCAS 8.0
>>>
>>> But, in any case, I will make this the default. I don't think that
>>> Columbus would be compatible with MOLCAS < 8 anyway ...
>>>
>>> -Felix
>>>
>>> On 06/06/2022 19:03, Hans Lischka via Columbus wrote:
>>>> ** THIS MESSAGE ORIGINATED OUTSIDE LOUGHBOROUGH UNIVERSITY **
>>>>
>>>> ** Be wary of links or attachments, especially if the email is
>>>> unsolicited or you don't recognise the sender's email address. **
>>>>
>>>> Hi Zihan,
>>>>
>>>> Here is my interpretation of the problem:
>>>> The file libma.a is missing in the loading process (should be in
>>>> /zpengmei/columbus/Columbus/libma.a). This is GA library. You should
>>>> find this file (and two others, like libga.a and a third one) in the
>>>> libs directory of the GA installation. Copy them to the main Columbus
>>>> directory
>>>>
>>>> Best regards, Hans
>>>>
>>>> On 6/5/2022 9:35 PM, Zihan Pengmei via Columbus wrote:
>>>>> Dear Columbus developers, I am trying to compile a Columbus 7.0.2
>>>>> interfacing with openmolcas and sharc on the cluster(with intel
>>>>> compiler, mkl2020, intelmpi/2018.4), but having the following
>>>>> complaint:
>>>>> ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
>>>>> ? ?
>>>>>
>>>>> Dear Columbus developers,
>>>>>
>>>>> ???????????????? I am trying to compile a Columbus 7.0.2 interfacing
>>>>> with openmolcas and sharc on the cluster(with intel compiler, mkl2020,
>>>>> intelmpi/2018.4), but having the following complaint:
>>>>>
>>>>> e_2020_update1/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread
>>>>> -lm -ldl /zpengmei/columbus/Columbus/libma.a
>>>>>
>>>>> ifort: error #10236: File not
>>>>> found:'/zpengmei/columbus/Columbus/libma.a'
>>>>>
>>>>> gmake: *** [/zpengmei/columbus/Columbus/makefile:345: molcas.a]
>>>>> Error 1
>>>>>
>>>>> ???????????????? Just to clarify, I did git clone and compiled the
>>>>> openmolcas for columbus 7 from gitlab, one parallel version with
>>>>> intelmpi, mkl , intel compiler and ga 5.8.2, and another serial
>>>>> version
>>>>> with intel compiler, mkl.
>>>>>
>>>>> In install.config, I tried MOLCAS/PMOLCAS both keywords with
>>>>> corresponding versions, but neither of them worked out and came up
>>>>> with
>>>>> this warning when installing standard.
>>>>>
>>>>> ???????????????? I checked openmolcas/libs and ga/libs and I didn?t
>>>>> find
>>>>> libma.a anywhere. Any help would be very useful!
>>>>>
>>>>> Thanks,
>>>>>
>>>>> Zihan Pengmei
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> Columbus mailing list
>>>>> Columbus at lists.osc.edu
>>>>> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
>>> <https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>>
>>>>
>>>> _______________________________________________
>>>> Columbus mailing list
>>>> Columbus at lists.osc.edu
>>>> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
>>> <https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>>
>>>
>>>
>>>
>>>
>>> ------------------------------
>>>
>>> Subject: Digest Footer
>>>
>>> _______________________________________________
>>> Columbus mailing list
>>> Columbus at lists.osc.edu
>>> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
>>> <https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>>
>>>
>>> ------------------------------
>>>
>>> End of Columbus Digest, Vol 112, Issue 2
>>> ****************************************
>>>
>>>
>>> _______________________________________________
>>> Columbus mailing list
>>> Columbus at lists.osc.edu
>>> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
>>
>> _______________________________________________
>> Columbus mailing list
>> Columbus at lists.osc.edu
>> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
> 
> 
> 
> 
> ------------------------------
> 
> Subject: Digest Footer
> 
> _______________________________________________
> Columbus mailing list
> Columbus at lists.osc.edu
> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
> 
> ------------------------------
> 
> End of Columbus Digest, Vol 112, Issue 7
> ****************************************
> -------------- next part --------------
> An HTML attachment was scrubbed...
> URL: 
> <http://lists.osu.edu/pipermail/columbus/attachments/20220608/7781df46/attachment.html 
> <http://lists.osu.edu/pipermail/columbus/attachments/20220608/7781df46/attachment.html>>
> 
> ------------------------------
> 
> Subject: Digest Footer
> 
> _______________________________________________
> Columbus mailing list
> Columbus at lists.osc.edu
> https://lists.osu.edu/mailman/listinfo/columbus 
> <https://lists.osu.edu/mailman/listinfo/columbus>
> 
> ------------------------------
> 
> End of Columbus Digest, Vol 112, Issue 8
> ****************************************
> 
> 
> _______________________________________________
> Columbus mailing list
> Columbus at lists.osc.edu
> https://lists.osu.edu/mailman/listinfo/columbus



More information about the Columbus mailing list