[Columbus] COLUMBUS-MOLCAS link
Kalpa Dihingia
20jyotikalpa15 at gmail.com
Wed Aug 9 10:15:12 EDT 2023
I am reinstalling OpenMolcas for Columbus 7 now, please let me know if I am
making sense. Earlier I enabled mpi, this time, it's just a simple
installation.
[kalpa at compute OpenMolcas]$ git clone
https://urldefense.com/v3/__https://gitlab.com/columbus-program-system/OpenMolcas.git__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzr-nXy_9$
Cloning into 'OpenMolcas'...
remote: Enumerating objects: 59364, done.
remote: Counting objects: 100% (13666/13666), done.
remote: Compressing objects: 100% (1194/1194), done.
remote: Total 59364 (delta 12743), reused 12480 (delta 12472), pack-reused
45698
Receiving objects: 100% (59364/59364), 65.40 MiB | 26.52 MiB/s, done.
Resolving deltas: 100% (48376/48376), done.
[kalpa at compute OpenMolcas]$ ls
OpenMolcas
[kalpa at compute OpenMolcas]$ cd OpenMolcas/
[kalpa at compute OpenMolcas]$ ls
basis_library CMakeLists.txt CONTRIBUTING.md data External README.md
src Tools
cmake configure-cmake CONTRIBUTORS.md doc LICENSE sbin
test
[kalpa at compute OpenMolcas]$ mkdir build
[kalpa at compute OpenMolcas]$ ls
basis_library cmake configure-cmake CONTRIBUTORS.md doc
LICENSE sbin test
build CMakeLists.txt CONTRIBUTING.md data External
README.md src Tools
[kalpa at compute OpenMolcas]$ cd build/
[kalpa at compute build]$ ls
[kalpa at compute build]$ FC=ifort
[kalpa at compute build]$ ls
[kalpa at compute build]$ cmake -DLINALG=MKL ..
Configuring compilers:
-- The Fortran compiler identification is GNU 4.8.5
-- The C compiler identification is GNU 4.8.5
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Check for working Fortran compiler: /usr/bin/f95 - skipped
-- Checking whether /usr/bin/f95 supports Fortran 90
-- Checking whether /usr/bin/f95 supports Fortran 90 - yes
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/cc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
Detecting Molcas version info:
-- OPENMOLCAS_VERSION: v18.09-2-g433e6e1
Detecting system info:
-- OS: Linux-x86_64
-- ADDRMODE: 64
-- PLATFORM: LINUX64
Configuring HDF5 support:
-- Found HDF5: /usr/lib64/libhdf5.so (found version "1.8.12") found
components: C
-- HDF5_INCLUDE_PATH: /usr/include
-- HDF5_C_LIBRARIES: /usr/lib64/libhdf5.so
Configuring linear algebra libraries:
-- Using Intel Math Kernel Library (MKL)
-- MKLROOT = /opt/compilers/intel/mkl/2023.0.0
-- MKL_INCLUDE_PATH = /opt/compilers/intel/mkl/2023.0.0/include
-- MKL_LIBRARY_PATH = /opt/compilers/intel/mkl/2023.0.0/lib/intel64
-- LINALG_LIBRARIES:
/opt/compilers/intel/mkl/2023.0.0/lib/intel64/libmkl_gf_ilp64.so;/opt/compilers/intel/mkl/2023.0.0/lib/intel64/libmkl_core.so;/opt/compilers/intel/mkl/2023.0.0/lib/intel64/libmkl_sequential.so
Gromacs interface DISABLED
BLOCK interface DISABLED
CHEMPS2 interface DISABLED
-- MSYM support DISABLED
-- DMRG support DISABLED
-- HDF5 QCMaquis interface DISABLED
NECI interface DISABLED
EFP interface DISABLED
GEN1INT support DISABLED
-- libwfa support DISABLED
-- NEVPT2 support DISABLED
External GRID_IT DISABLED
Configuring runtime environment settings:
-- DEFMOLCASMEM: 2048
-- DEFMOLCASDISK: 20000
-- RUNSCRIPT: $program $input
-- RUNBINARY: $program
-- RUNBINARYSER: $program
Build type: Release
-- C compiler: /usr/bin/cc
-- C compiler flags: -std=gnu99 -O2
-- Fortran compiler: /usr/bin/f95
-- Fortran compiler flags: -cpp -fno-aggressive-loop-optimizations
-fdefault-integer-8 -O2
-- Definitions: _MOLCAS_;_I8_;_LINUX_;_MKL_
-- Debug definitions:
-- Found PythonInterp: /usr/bin/python3 (found suitable version "3.6.8",
minimum required is "3.0")
-- pymolcas: added to targets
Copying hook
"/opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas/sbin/pre-commit"
into
"/opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas/.git/hooks/pre-commit"
Definitions: -D_MOLCAS_;-D_I8_;-D_LINUX_;-D_MKL_
Configuring documentation
-- Found LATEX: /usr/bin/latex
-- LaTeX compiler: no latexmk available, documentation disabled
Install directory: /opt/molcas
-- Configuring done
-- Generating done
-- Build files have been written to:
/opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas/build
[kalpa at compute build]$
[kalpa at compute build]$ cmake -DLINALG=MKL -D
CMAKE_INSTALL_PREFIX=/opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas/build
..
Configuring compilers:
Detecting Molcas version info:
-- OPENMOLCAS_VERSION: v18.09-2-g433e6e1
Detecting system info:
-- OS: Linux-x86_64
-- ADDRMODE: 64
-- PLATFORM: LINUX64
Configuring HDF5 support:
-- HDF5_INCLUDE_PATH: /usr/include
-- HDF5_C_LIBRARIES: /usr/lib64/libhdf5.so
Configuring linear algebra libraries:
-- Using Intel Math Kernel Library (MKL)
-- MKLROOT = /opt/compilers/intel/mkl/2023.0.0
-- MKL_INCLUDE_PATH = /opt/compilers/intel/mkl/2023.0.0/include
-- MKL_LIBRARY_PATH = /opt/compilers/intel/mkl/2023.0.0/lib/intel64
-- LINALG_LIBRARIES:
/opt/compilers/intel/mkl/2023.0.0/lib/intel64/libmkl_gf_ilp64.so;/opt/compilers/intel/mkl/2023.0.0/lib/intel64/libmkl_core.so;/opt/compilers/intel/mkl/2023.0.0/lib/intel64/libmkl_sequential.so
Gromacs interface DISABLED
BLOCK interface DISABLED
CHEMPS2 interface DISABLED
-- MSYM support DISABLED
-- DMRG support DISABLED
-- HDF5 QCMaquis interface DISABLED
NECI interface DISABLED
EFP interface DISABLED
GEN1INT support DISABLED
-- libwfa support DISABLED
-- NEVPT2 support DISABLED
External GRID_IT DISABLED
Configuring runtime environment settings:
-- DEFMOLCASMEM: 2048
-- DEFMOLCASDISK: 20000
-- RUNSCRIPT: $program $input
-- RUNBINARY: $program
-- RUNBINARYSER: $program
Build type: Release
-- C compiler: /usr/bin/cc
-- C compiler flags: -std=gnu99 -O2
-- Fortran compiler: /usr/bin/f95
-- Fortran compiler flags: -cpp -fno-aggressive-loop-optimizations
-fdefault-integer-8 -O2
-- Definitions: _MOLCAS_;_I8_;_LINUX_;_MKL_
-- Debug definitions:
-- pymolcas: added to targets
Definitions: -D_MOLCAS_;-D_I8_;-D_LINUX_;-D_MKL_
Configuring documentation
-- LaTeX compiler: no latexmk available, documentation disabled
Install directory:
/opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas/build
-- Configuring done
-- Generating done
-- Build files have been written to:
/opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas/build
[kalpa at compute build]$ ccmake .
[image: image.png]
[image: image.png]
[kalpa at compute build]$ make
Scanning dependencies of target parnell.exe
[ 0%] Building C object CMakeFiles/parnell.exe.dir/src/parnell/main.c.o
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[ 0%] Linking C executable bin/parnell.exe
[ 0%] Built target parnell.exe
Scanning dependencies of target prgms
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[image: image.png]
See I defined a path, but its automatically asking an arbitrary path
/home/kalpa/bin
[kalpa at compute build]$ ls /home/kalpa/bin
pymolcas
[kalpa at compute build]$
At the same time I am not sure with which compiler it's getting installed.
I guess it got compiled by gfortran.
*Thank you !*
Kalpajyoti Dihingia
Research Scholar,
Department of Chemistry,
Institute of Science,
Banaras Hindu University, Varanasi-221005
Phone no: 7576867088, 9707836598
On Wed, Aug 9, 2023 at 7:23 PM Kalpa Dihingia <20jyotikalpa15 at gmail.com>
wrote:
> Oh sorry, I misunderstood the term "OpenMolcas for Columbus 7". I compiled
> "OpenMolcas for Columbus 7" with ifort but the problem was coming at the
> end of the execution of the "make" command, pymolcas is not getting
> installed in the build directory even if I define any directory using -D
> CMAKE_INSTALL_PREFIX=/path/to/installation and somehow the pymolcas
> executable got installed in /home/kalpa/bin. After that I have copied
> from /home/kalpa/bin to
> /opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas/build directory.
>
> And ./pymolcas verify gives all the failed results
>
> Can you please tell me why it is not getting installed in the build
> directory?
>
> So I have not used this version of OpenMolcas with Columbus 7.
>
> How should I do it...
>
> [image: image.png]
>
>
> [100%] Building Fortran object CMakeFiles/espf.exe.dir/src/espf/main.f.o
> [100%] Linking Fortran executable bin/espf.exe
> [100%] Built target espf.exe
> Scanning dependencies of target pymolcas
> [100%] Generating pymolcas_
> *** Warning! Could not find a proper directory to install pymolcas
>
> *** Check that there is a directory in your PATH with write access
> *** (for example /home/kalpa/bin) and restart the installation
>
> *** You have to put pymolcas in any directory in your PATH
> [100%] Built target pymolcas
> [kalpa at compute build]$ ls
>
> *Thank you !*
>
> Kalpajyoti Dihingia
> Research Scholar,
> Department of Chemistry,
> Institute of Science,
> Banaras Hindu University, Varanasi-221005
> Phone no: 7576867088, 9707836598
>
>
>
>
>
>
>
>
>
> On Wed, Aug 9, 2023 at 7:07 PM Rene F. K. Spada <rfkspada at gmail.com>
> wrote:
>
>> Can you try to compile Columbus using the path for OpenMolcas for
>> Columbus 7? You said it is:
>>
>> "/opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas"
>>
>> Right? I believe you compiled this version with ifort. Like this we won't
>> need to "fight" against Columbus Installer.
>>
>> Best,
>>
>>
>>
>> Em qua., 9 de ago. de 2023 às 10:08, Kalpa Dihingia <
>> 20jyotikalpa15 at gmail.com> escreveu:
>>
>>> Thank you Dr. Rene for reviewing my files.
>>>
>>>
>>> I added FORTRAN=ifort -c -nowarn -mkl=sequential -lgfortran to the
>>> FORTRAN line and then I have put the MOLCAS path to the install.config
>>> file. After that I have executed ./install.automatic -p linux64.ifc
>>> standard . I found the following errors, I have attached the related
>>> files with this mail.
>>>
>>> STATIC=-static -static-libgcc
>>> ------------------------------------------------------------------------
>>> standard.tar
>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/install.log.standard
>>> starting installation of standard package
>>> path=
>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/Columbus
>>> installation of standard package failed
>>> check
>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/install.log.standard
>>> for details
>>>
>>>
>>> If I do not add the MOLCAS path to the install.config and add FORTRAN=ifort
>>> -c -nowarn -mkl=sequential -lgfortran to the machine.cfg/linux64.ifc
>>> file of FORTRAN line and run ./install.automatic -p linux64.ifc
>>> standard, it works. Problem is coming after the addition of the MOLCAS
>>> path. Can you please let me know what I should do...
>>>
>>>
>>> *Thank you !*
>>>
>>> Kalpajyoti Dihingia
>>> Research Scholar,
>>> Department of Chemistry,
>>> Institute of Science,
>>> Banaras Hindu University, Varanasi-221005
>>> Phone no: 7576867088, 9707836598
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> On Wed, Aug 9, 2023 at 5:59 PM Rene F. K. Spada <rfkspada at gmail.com>
>>> wrote:
>>>
>>>> Hi Kalpa,
>>>>
>>>> I believe it is better to first make the standard installation of
>>>> Columbus and OpenMolcas work, and after that we can make the parallel
>>>> version work. You are having problems related to MPI and GlobalArrays too,
>>>> so lets deal with that later.
>>>>
>>>> As you can see from your files, the standard installation worked before
>>>> you added the MOLCAS path to it. Nice.
>>>>
>>>> Concerning your version of OpenMolcas. It seems that you compiled it
>>>> using the gnu compilers (gfortran, gcc,...) while you are using ifort to
>>>> compile Columbus. So you need to provide the gfortran library to ifort. A
>>>> location to do this is on the machine.cfg/linux64.ifc file, add -lgfortran
>>>> do the FORTRAN line. It should be something like this:
>>>>
>>>> FORTRAN=ifort -c -nowarn -mkl=sequential -lgfortran
>>>>
>>>> Or whatever you have between FORTRAN=ifort and -lgfortran.
>>>>
>>>> Or you can recompile OpenMolcas with the same compilers used for
>>>> Columbus and then use this version of OpenMolcas to link to Columbus.
>>>>
>>>> But did you try to run ./install.automatic -p linux64.ifc standard with
>>>> the OpenMolcas for Columbus 7 path?
>>>>
>>>> Best,
>>>>
>>>> Rene
>>>>
>>>>
>>>>
>>>> Em qua., 9 de ago. de 2023 às 08:35, Kalpa Dihingia <
>>>> 20jyotikalpa15 at gmail.com> escreveu:
>>>>
>>>>> Dear sir
>>>>> Thank you very much for your suggestions, I am trying to follow step
>>>>> by steps:
>>>>> First I have downloaded the source release using wget
>>>>> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus-web/releases/Col7.2_2022-09-23_linux64.ifc_src.tar.gz__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzsXKZs95$
>>>>>
>>>>> Then extracted using tar
>>>>> -zxvf Col7.2_2022-09-23_linux64.ifc_src.tar.gz
>>>>> then I did ./install.automatic cpan
>>>>> The following outputs have come.
>>>>> [kalpa at compute Col7.2_2022-09-23_linux64.ifc_src]$
>>>>> ./install.automatic cpan
>>>>>
>>>>> install.automatic bash version 09/2022 (fp)
>>>>>
>>>>> install will neither extract nor port source code
>>>>> this assumes that the source code has been extracted and ported before
>>>>> packageid CPAN
>>>>> --> COMPRESS
>>>>> Using $COLUMBUS/colperl as perl interpreter
>>>>> ============================
>>>>> settings : CPPL = cpp -E -traditional
>>>>> : PERL =
>>>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/Columbus/colperl
>>>>>
>>>>> : RANLIB = /usr/bin/ranlib
>>>>> : GMAKE = gmake
>>>>> : GREP = /bin/grep
>>>>> : TAR = /bin/tar
>>>>> : GUNZIP = /bin/gunzip
>>>>> : 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
>>>>> : COLUMBUS =
>>>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/Columbus
>>>>>
>>>>> : DALTON =
>>>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/Columbus/source/dalton
>>>>>
>>>>> : DALTON2 =
>>>>> : GACOMMUNICATION = MPI
>>>>> : MPI_MAINDIR =
>>>>> /cm/shared/apps/intel/compilers_and_libraries/2018.4.274/linux/mpi/intel64
>>>>> : MPI_LIBS =
>>>>> /cm/shared/apps/intel/compilers_and_libraries/2018.4.274/linux/mpi/intel64/lib/libmpi.a
>>>>>
>>>>> : MPI_STARTUP = mpirun -np _NPROC_ _EXE_ _EXEOPTS_
>>>>> : PSCRIPT =
>>>>> : MPI_FC = mpiifort -z muldefs
>>>>> : MPI_LD = mpiifort -z muldefs
>>>>> : MPI_CC = mpicc
>>>>> : MOLCAS =
>>>>> : VMOLCAS =
>>>>> : PMOLCAS =
>>>>> : MCFLAGS =
>>>>> : INSTALLOPTION = NOGA_INSTALL
>>>>> : COLUMBUSVERSION = 7.2
>>>>> : GAVERSION = GA53
>>>>> ============================
>>>>> ---------- configuration file Columbus/machine.cfg/linux64.ifc
>>>>> ------------------
>>>>> FORTRAN=ifort -c -nowarn -mkl=sequential
>>>>> FFLAGS= -i8 -O2
>>>>> FFLAGSCARE= -i8 -O0 -g -noautomatic
>>>>> FFLAGS2= -i8 -O2 -noautomatic
>>>>> CFLAGS= -DLINUX -DBIT64 -DINT64
>>>>> CXX=icpc -c
>>>>> CC=gcc -c -O $(CFLAGS)
>>>>> CCMOLDEN=gcc -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
>>>>> LOADER=ifort -z muldefs
>>>>> MOLDENLIBS= -L/usr/X11R6/lib -lX11 -lm
>>>>> AR=ar rv
>>>>> ARX=ar x
>>>>> CPPDIR=-I$(DALTON_DIR)/include -DCOLUMBUS -DSYS_LINUX -DPTR64 -Df90
>>>>> -DVAR_BLAS3 -DINT64
>>>>> SPEC=$(COLUMBUS)/special/UNIX
>>>>> KOPC=$(SPEC)/fdate.c $(SPEC)/fwtime.c $(SPEC)/hostnm.c \
>>>>> $(SPEC)/flushstdout.c $(SPEC)/fsize.c $(SPEC)/getputvec.c
>>>>> $(SPEC)/workdir.c
>>>>> CDEF=icc -c -DFLUSH -DINT64 -DEXTNAME -I$(SPEC)
>>>>> YES=1
>>>>> FIXED=-fixed
>>>>> FREE=-free
>>>>> OBJECTSCARE=mcscf8.o gdiis.o givens.o suscal.o transmo.o polyhes.o
>>>>> utilities.o dzero.o
>>>>> OBJECTSCAREFREE= ciudg_loop.o potentialmodfree.o potenrg.o
>>>>> BLASCONVERSION=StoDblas
>>>>> KEYWORDS=jsc:unix:linux:milstd1753:bit64:format:blas2:blas3:pipemode:f90:f95:int64:molcas_int64:noenvsupport:shavittgraph:ga50:molcas_label10
>>>>>
>>>>> DKEYWORDS=-DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR
>>>>> -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64
>>>>> -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10
>>>>> DALTON2CPP=-DRCLU4 -DVAR_IFC -DSYS_LINUX -D_FILE_OFFSET_BITS=64
>>>>> -DVAR_MFDS -DIMPLICIT_NONE
>>>>> MOLCASFF=$(FFLAGS)
>>>>> PARALLELKEYS=parallel:mpi
>>>>> DPARALLELKEYS=-DPARALLEL -DMPI
>>>>> MOLCASKEYS=molcas:molcas_int64
>>>>> DMOLCASKEYS=-DMOLCAS -DMOLCAS_INT64
>>>>> STATIC=-static -static-libgcc
>>>>>
>>>>> ------------------------------------------------------------------------
>>>>> cpan.tar
>>>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/install.log.cpan
>>>>> starting installation of cpan package
>>>>> path=
>>>>> /opt/SOFTWARES/COLUMBUS/parallel/columbus/Col7.2_2022-09-23_linux64.ifc_src/Columbus
>>>>> Starting colperl CPAN installation ...
>>>>> cpan package installation successful
>>>>>
>>>>>
>>>>> After that I have executed the command: ./install.automatic -p
>>>>> linux64.ifc standard and the following output have come: (click here
>>>>> <https://urldefense.com/v3/__https://drive.google.com/drive/folders/1MFakZM1LiHmvmUOk76fTxBASU3nt-2BO?usp=drive_link__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzrjbXgV6$ >
>>>>> to get the
>>>>> <https://urldefense.com/v3/__https://drive.google.com/file/d/1UwQ60qvlfMJEpBqyJZm2bRt0_reCjn7g/view?usp=sharing__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzi9Ln7ey$ >
>>>>> install.log.standard
>>>>> <https://urldefense.com/v3/__https://drive.google.com/file/d/1UwQ60qvlfMJEpBqyJZm2bRt0_reCjn7g/view?usp=sharing__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzi9Ln7ey$ >
>>>>>
>>>>> <https://urldefense.com/v3/__https://drive.google.com/file/d/1UwQ60qvlfMJEpBqyJZm2bRt0_reCjn7g/view?usp=sharing__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzi9Ln7ey$ >
>>>>> , install.log.cpan
>>>>> <https://urldefense.com/v3/__https://drive.google.com/file/d/1QML9d8RdhEJbCu1F1wU5SuLP6VAES10d/view?usp=sharing__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzjzN96Dq$ >
>>>>> , install.config
>>>>> <https://urldefense.com/v3/__https://drive.google.com/file/d/1-n6E9akc-m8IXTQPYCBqBaOr9o26LGl9/view?usp=sharing__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzjbt7_k0$ >
>>>>> )
>>>>> And till now I have not edited the install.config file.
>>>>>
>>>>>
>>>>> Now I have executed ./install.automatic -p linux64.ifc parallel (
>>>>> check install.log.parallel
>>>>> <https://urldefense.com/v3/__https://drive.google.com/file/d/1o3HMPDmbQyEJ_0-chKEXoYbbxTC9kYGO/view?usp=sharing__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzjnRTojv$ >
>>>>> )
>>>>>
>>>>> After that I have added the MOLCAS path in the install.config file and
>>>>> executed ./install.automatic -p linux64.ifc standard parallel ( click
>>>>> here
>>>>> <https://urldefense.com/v3/__https://drive.google.com/drive/folders/1FjkawiAvQicqQ5Sf_TYZV4zuoDN6Vcam?usp=drive_link__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzj4TXHsE$ > for
>>>>> the files)
>>>>>
>>>>> I installed this OpenMolcas version by using git clone
>>>>> https://urldefense.com/v3/__https://gitlab.com/Molcas/OpenMolcas.git__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzqOvijKm$ earlier and I was working
>>>>> with this version.
>>>>>
>>>>> I tried to install from
>>>>> https://urldefense.com/v3/__https://gitlab.com/columbus-program-system/OpenMolcas.git__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzr-nXy_9$ (OpenMolcas
>>>>> for Columbus 7)also, but the problem is that after execution of the make
>>>>> command it gave the following:
>>>>>
>>>>> [100%] Building Fortran object
>>>>> CMakeFiles/espf.exe.dir/src/espf/main.f.o
>>>>> [100%] Linking Fortran executable bin/espf.exe
>>>>> [100%] Built target espf.exe
>>>>> Scanning dependencies of target pymolcas
>>>>> [100%] Generating pymolcas_
>>>>> *** Warning! Could not find a proper directory to install pymolcas
>>>>>
>>>>> *** Check that there is a directory in your PATH with write access
>>>>> *** (for example /home/kalpa/bin) and restart the installation
>>>>>
>>>>> *** You have to put pymolcas in any directory in your PATH
>>>>> [100%] Built target pymolcas
>>>>> [kalpa at compute build]$ ls
>>>>>
>>>>>
>>>>> After that I gave a path in the /home/kalpa/bin to install pymolcas and
>>>>> the only "pymolcas" executable got copied to the /home/kalpa/bin. and
>>>>> no pymolcas was there in the /opt/SOFTWARES/COLUMBUS/parallel/OpenMolcas/OpenMolcas
>>>>> directory which I defined earlier. and it's getting failed in the tests.
>>>>> For that reason I used the installed version of OpenMolcas in my system and
>>>>> its also showing a lot of problem in executing ./install.automatic -p
>>>>> linux64.ifc standard parallel
>>>>>
>>>>> used the following command while installing openmolcas
>>>>>
>>>>> *cmake -DLINALG=MKL -D CMAKE_INSTALL_PREFIX=/path/to/installation ..*
>>>>>
>>>>>
>>>>> Please let me know what mistake I am making right now, I am not able
>>>>> to understand the errors...
>>>>>
>>>>>
>>>>> *Thank you !*
>>>>>
>>>>> Kalpajyoti Dihingia
>>>>> Research Scholar,
>>>>> Department of Chemistry,
>>>>> Institute of Science,
>>>>> Banaras Hindu University, Varanasi-221005
>>>>> Phone no: 7576867088, 9707836598
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> On Tue, Aug 8, 2023 at 8:26 PM Felix Plasser <F.Plasser at lboro.ac.uk>
>>>>> wrote:
>>>>>
>>>>>> ok! So, the first thing to do is to get the source release
>>>>>>
>>>>>> wget
>>>>>> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus-web/releases/Col7.2_2022-09-23_linux64.ifc_src.tar.gz__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzsXKZs95$
>>>>>>
>>>>>> Then you can work your way up. I would start with the basic
>>>>>> installation and then include the parallel parts and OpenMolcas.
>>>>>>
>>>>>> See the following pages
>>>>>>
>>>>>> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus/installation.html__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzltfGcGD$
>>>>>>
>>>>>>
>>>>>> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus/parallel/parallel_general.html__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzrj4tCJk$
>>>>>>
>>>>>>
>>>>>> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus/columbus_molcas_link.html__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzo99jCvF$
>>>>>>
>>>>>> None of this is particularly straightforward, sorry. But it is
>>>>>> possible ...
>>>>>> On 08/08/2023 15:38, Kalpa Dihingia 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. **
>>>>>> I downloaded the precompiled executables using *wget*
>>>>>> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus-web/releases/Col7.2_2022-09-23_linux64.ifc_bin.tar.gz__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzlzrysS8$
>>>>>>
>>>>>> *Thank you !*
>>>>>>
>>>>>> Kalpajyoti Dihingia
>>>>>> Research Scholar,
>>>>>> Department of Chemistry,
>>>>>> Institute of Science,
>>>>>> Banaras Hindu University, Varanasi-221005
>>>>>> Phone no: 7576867088, 9707836598
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>> On Tue, Aug 8, 2023 at 8:03 PM Felix Plasser <F.Plasser at lboro.ac.uk>
>>>>>> wrote:
>>>>>>
>>>>>>> The first error is
>>>>>>>
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus/source/dalton2:
>>>>>>> No such file or directory
>>>>>>>
>>>>>>> Did you download the source code or the precompiled executables?
>>>>>>> On 08/08/2023 13:43, Kalpa Dihingia 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. **
>>>>>>> Thank you Dr Rene for your kind response.
>>>>>>> I have just removed the perl line from install.config and ran the
>>>>>>> following 2 lines (for trial) logging as a user
>>>>>>>
>>>>>>> ./install.automatic -p linux64.ifc cpan standard grad parallel
>>>>>>> ./install.automatic -p linux64.ifc standard grad parallel
>>>>>>> And got the same error:
>>>>>>> [kalpa at compute Col7.2_2022-09-23_linux64_parallel]$
>>>>>>> ./install.automatic -p linux64.ifc cpan standard grad parallel
>>>>>>>
>>>>>>> install.automatic bash version 09/2022 (fp)
>>>>>>>
>>>>>>> install will not extract the source code, hence it must have been
>>>>>>> extracted before
>>>>>>> packageid CPAN
>>>>>>> packageid STANDARD
>>>>>>> packageid GRAD
>>>>>>> packageid PARALLEL
>>>>>>> --> COMPRESS
>>>>>>> Using $COLUMBUS/colperl as perl interpreter
>>>>>>> ============================
>>>>>>> settings : CPPL = cpp -E -traditional
>>>>>>> : PERL =
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus/colperl
>>>>>>> : RANLIB = /usr/bin/ranlib
>>>>>>> : GMAKE = gmake
>>>>>>> : GREP = /bin/grep
>>>>>>> : TAR = /bin/tar
>>>>>>> : GUNZIP = /bin/gunzip
>>>>>>> : 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
>>>>>>> : COLUMBUS =
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus
>>>>>>> : DALTON =
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus/source/dalton
>>>>>>> : DALTON2 =
>>>>>>> : GACOMMUNICATION = MPI
>>>>>>> : MPI_MAINDIR = /opt/compilers/mpich/3.4.3
>>>>>>> : MPI_LIBS =
>>>>>>> /opt/compilers/mpich/3.4.3/lib/libmpich.a
>>>>>>> : MPI_STARTUP = /opt/compilers/mpich/3.4.3/bin/mpirun
>>>>>>> -np _NPROC_ _EXE_ _EXEOPTS_
>>>>>>> : PSCRIPT =
>>>>>>> : MPI_FC = /opt/compilers/mpich/3.4.3/bin/mpif90
>>>>>>> -Wl -z muldefs
>>>>>>> : MPI_LD = /opt/compilers/mpich/3.4.3/bin/mpif90
>>>>>>> -Wl, -z muldefs
>>>>>>> : MPI_CC = /opt/compilers/mpich/3.4.3/bin/mpicc
>>>>>>> : MOLCAS =
>>>>>>> /opt/SOFTWARES/openmolcas/parallel_Mlcs
>>>>>>> : VMOLCAS =
>>>>>>> : PMOLCAS =
>>>>>>> : MCFLAGS =
>>>>>>> : INSTALLOPTION = NOGA_INSTALL
>>>>>>> : COLUMBUSVERSION = 7.2
>>>>>>> : GAVERSION = GA53
>>>>>>> ============================
>>>>>>> ---------- configuration file Columbus/machine.cfg/linux64.ifc
>>>>>>> ------------------
>>>>>>> FORTRAN=ifort -c -nowarn -mkl=sequential
>>>>>>> FFLAGS= -i8 -O2
>>>>>>> FFLAGSCARE= -i8 -O0 -g -noautomatic
>>>>>>> FFLAGS2= -i8 -O2 -noautomatic
>>>>>>> CFLAGS= -DLINUX -DBIT64 -DINT64
>>>>>>> CXX=icpc -c
>>>>>>> CC=gcc -c -O $(CFLAGS)
>>>>>>> CCMOLDEN=gcc -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
>>>>>>> LOADER=ifort -z muldefs
>>>>>>> MOLDENLIBS= -L/usr/X11R6/lib -lX11 -lm
>>>>>>> AR=ar rv
>>>>>>> ARX=ar x
>>>>>>> CPPDIR=-I$(DALTON_DIR)/include -DCOLUMBUS -DSYS_LINUX -DPTR64 -Df90
>>>>>>> -DVAR_BLAS3 -DINT64
>>>>>>> SPEC=$(COLUMBUS)/special/UNIX
>>>>>>> KOPC=$(SPEC)/fdate.c $(SPEC)/fwtime.c $(SPEC)/hostnm.c \
>>>>>>> $(SPEC)/flushstdout.c $(SPEC)/fsize.c $(SPEC)/getputvec.c
>>>>>>> $(SPEC)/workdir.c
>>>>>>> CDEF=icc -c -DFLUSH -DINT64 -DEXTNAME -I$(SPEC)
>>>>>>> YES=1
>>>>>>> FIXED=-fixed
>>>>>>> FREE=-free
>>>>>>> OBJECTSCARE=mcscf8.o gdiis.o givens.o suscal.o transmo.o polyhes.o
>>>>>>> utilities.o dzero.o
>>>>>>> OBJECTSCAREFREE= ciudg_loop.o potentialmodfree.o potenrg.o
>>>>>>> BLASCONVERSION=StoDblas
>>>>>>> KEYWORDS=jsc:unix:linux:milstd1753:bit64:format:blas2:blas3:pipemode:f90:f95:int64:molcas_int64:noenvsupport:shavittgraph:ga50:molcas_label10
>>>>>>>
>>>>>>> DKEYWORDS=-DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR
>>>>>>> -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64
>>>>>>> -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10
>>>>>>> DALTON2CPP=-DRCLU4 -DVAR_IFC -DSYS_LINUX -D_FILE_OFFSET_BITS=64
>>>>>>> -DVAR_MFDS -DIMPLICIT_NONE
>>>>>>> MOLCASFF=$(FFLAGS)
>>>>>>> PARALLELKEYS=parallel:mpi
>>>>>>> DPARALLELKEYS=-DPARALLEL -DMPI
>>>>>>> MOLCASKEYS=molcas:molcas_int64
>>>>>>> DMOLCASKEYS=-DMOLCAS -DMOLCAS_INT64
>>>>>>> STATIC=-static -static-libgcc
>>>>>>>
>>>>>>> ------------------------------------------------------------------------
>>>>>>> cpan.tar
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/install.log.cpan
>>>>>>> starting installation of cpan package
>>>>>>> path=
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus
>>>>>>> Starting colperl CPAN installation ...
>>>>>>> cpan package installation successful
>>>>>>> standard.tar
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/install.log.standard
>>>>>>> starting installation of standard package
>>>>>>> path=
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus
>>>>>>> cp: cannot stat
>>>>>>> ‘/opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus/source/potential/pot_reduce.py’:
>>>>>>> No such file or directory
>>>>>>> installation of standard package failed
>>>>>>> check
>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/install.log.standard
>>>>>>> for details
>>>>>>> [kalpa at compute Col7.2_2022-09-23_linux64_parallel]$
>>>>>>>
>>>>>>> *Please look at the files attached.*
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> *Thank you !*
>>>>>>>
>>>>>>> Kalpajyoti Dihingia
>>>>>>> Research Scholar,
>>>>>>> Department of Chemistry,
>>>>>>> Institute of Science,
>>>>>>> Banaras Hindu University, Varanasi-221005
>>>>>>> Phone no: 7576867088, 9707836598
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> On Tue, Aug 8, 2023 at 5:47 PM Rene F. K. Spada <rfkspada at gmail.com>
>>>>>>> wrote:
>>>>>>>
>>>>>>>> Hi Kalpa,
>>>>>>>>
>>>>>>>> You are having a lot of errors related to perl.
>>>>>>>>
>>>>>>>> "Can't locate Shell.pm in @INC (you may need to install the Shell
>>>>>>>> module) (@INC entries checked: /root/perl5/lib/perl5
>>>>>>>> /opt/compilers/perl/5.38/lib/site_perl/5.38.0/x86_64-linux
>>>>>>>> /opt/compilers/perl/5.38/lib/site_perl/5.38.0
>>>>>>>> /opt/compilers/perl/5.38/lib/5.38.0/x86_64-linux
>>>>>>>> /opt/compilers/perl/5.38/lib/5.38.0) at
>>>>>>>> /opt/SOFTWARES/COLUMBUS/Col7.2_2022-09-23_linux64_parallel/Columbus/StoDblas
>>>>>>>> line 8."
>>>>>>>>
>>>>>>>> I believe you can remove the PERL variable from your install.config
>>>>>>>> file. This will make Columbus use colperl. Could you test it?
>>>>>>>>
>>>>>>>> I see from the screenshots that you are trying to install it as
>>>>>>>> root. I would also suggest installing it as a user, not as root.
>>>>>>>>
>>>>>>>> I believe these hints won't solve your problem but would make then
>>>>>>>> a better.
>>>>>>>>
>>>>>>>> Best,
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> Em ter., 8 de ago. de 2023 às 07:57, Kalpa Dihingia via Columbus <
>>>>>>>> columbus at lists.osc.edu> escreveu:
>>>>>>>>
>>>>>>>>> Sure, sir Here I have attached the files. Thank you ! Kalpajyoti
>>>>>>>>> Dihingia Research Scholar, Department of Chemistry, Institute of Science,
>>>>>>>>> Banaras Hindu University, Varanasi-221005 Phone no: 7576867088,
>>>>>>>>> 9707836598On Tue, Aug 8, 2023 at 4: 17
>>>>>>>>> Sure, sir
>>>>>>>>> Here I have attached the files.
>>>>>>>>>
>>>>>>>>> *Thank you !*
>>>>>>>>>
>>>>>>>>> Kalpajyoti Dihingia
>>>>>>>>> Research Scholar,
>>>>>>>>> Department of Chemistry,
>>>>>>>>> Institute of Science,
>>>>>>>>> Banaras Hindu University, Varanasi-221005
>>>>>>>>> Phone no: 7576867088, 9707836598
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> On Tue, Aug 8, 2023 at 4:17 PM Felix Plasser <
>>>>>>>>> F.Plasser at lboro.ac.uk> wrote:
>>>>>>>>>
>>>>>>>>>> Hi Kalpa,
>>>>>>>>>>
>>>>>>>>>> The OpenMolcas interface can be a bit tricky. If you attach, the
>>>>>>>>>> install.config and install.log.standard files, then I can have a look. I
>>>>>>>>>> can't actually read those screenshots you sent ...
>>>>>>>>>>
>>>>>>>>>> -Felix
>>>>>>>>>> On 08/08/2023 09:16, Kalpa Dihingia 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. **
>>>>>>>>>> Dear Columbus development team I am working with both columbus
>>>>>>>>>> and OpenMolcas quantum chemistry software. But OpenMolcas is limited to
>>>>>>>>>> RASSCF and CASPT2 level of theory, that is why I want to interface between
>>>>>>>>>> both the softwares (both of calling
>>>>>>>>>> Dear Columbus development team
>>>>>>>>>> I am working with both *columbus and OpenMolcas quantum
>>>>>>>>>> chemistry software*. But OpenMolcas is limited to RASSCF and
>>>>>>>>>> CASPT2 level of theory, that is why I want to interface between both the
>>>>>>>>>> softwares (both of calling OpenMolcas from columbus and Columbus from
>>>>>>>>>> OpenMolcas).
>>>>>>>>>>
>>>>>>>>>> I downloaded Columbus using: *wget*
>>>>>>>>>> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus-web/releases/Col7.2_2022-09-23_linux64.ifc_bin.tar.gz__;!!KGKeukY!0-vR5IUCXD1H8CLYHWRegHSPJl0vKylVBHXUVDikyzGYhJM0rjzBsAwzUEpJtKnQUl7z3zwFDN4W_d1zMQZSzlzrysS8$
>>>>>>>>>> <https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus-web/releases/Col7.2_2022-09-23_linux64.ifc_bin.tar.gz__;!!KGKeukY!xDHZY9lud6MjdKeAaC-sQ5olmflWmQdXzgQoqKKtirVJYrBEvRfttWBkKA28piMH08rWhs5zkh80_eZQkxh86z5hCjX2$>
>>>>>>>>>>
>>>>>>>>>> I followed the columbus documentation but was not able to compile
>>>>>>>>>> it properly. Can anyone please let me know how to solve this problem
>>>>>>>>>>
>>>>>>>>>> I did the following:
>>>>>>>>>> *Step 1: *Edited the install.config:
>>>>>>>>>> [image: image.png]
>>>>>>>>>>
>>>>>>>>>> *./install.automatic -p linux64.ifc standard grad parallel *
>>>>>>>>>> [image: image.png]
>>>>>>>>>>
>>>>>>>>>> [image: image.png]
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> *Thank you !*
>>>>>>>>>>
>>>>>>>>>> Kalpajyoti Dihingia
>>>>>>>>>> Research Scholar,
>>>>>>>>>> Department of Chemistry,
>>>>>>>>>> Institute of Science,
>>>>>>>>>> Banaras Hindu University, Varanasi-221005
>>>>>>>>>> Phone no: 7576867088, 9707836598
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> _______________________________________________
>>>>>>>>>> Columbus mailing listColumbus at lists.osc.eduhttps://lists.osu.edu/mailman/listinfo/columbus
>>>>>>>>>>
>>>>>>>>>> _______________________________________________
>>>>>>>>> Columbus mailing list
>>>>>>>>> Columbus at lists.osc.edu
>>>>>>>>> https://lists.osu.edu/mailman/listinfo/columbus
>>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> --
>>>>>>>>
>>>>>>>>
>>>>>>>> *Rene Felipe Keidel Spada Físico por Formação, Humano por Natureza *
>>>>>>>> *Instituto Tecnológico de Aeronáutica*
>>>>>>>>
>>>>>>>
>>>>
>>>> --
>>>>
>>>>
>>>> *Rene Felipe Keidel SpadaFísico por Formação, Humano por Natureza*
>>>> *Instituto Tecnológico de Aeronáutica*
>>>>
>>>
>>
>> --
>>
>>
>> *Rene Felipe Keidel SpadaFísico por Formação, Humano por Natureza*
>> *Instituto Tecnológico de Aeronáutica*
>>
>
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