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Hi Zihan, The filenames of the library files depend on the GA compilation and the version. The main file used to be called libglobal.a, now it is called libga.a, etc. At the end of the day, you just have to make sure that the makefile uses
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<div class="moz-cite-prefix">Hi Zihan,</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">The filenames of the library files depend on the GA compilation and the version. The main file used to be called libglobal.a, now it is called libga.a, etc. At the end of the day, you just have to make sure that the makefile uses
the files you actually have. Columbus just cares about the API and should work independently of the filenames. In my case I am doing the following:</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">Download the GA-5.7 release</div>
<div class="moz-cite-prefix">MPICC=mpiicc MPIF77=mpiifort ./configure --with-sockets</div>
<div class="moz-cite-prefix">make<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">cp ./.libs/libga.a ./armci/.libs/libarmci.a $COLUMBUS<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">For COLUMBUS I am using the attached install.config file. The crucial bits are<br>
</div>
<div class="moz-cite-prefix">GACOMMUNICATION MPI</div>
<div class="moz-cite-prefix">GAVERSION GA53</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">Inside the makefile this translates to</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">ifeq ("$(GAVERSION)","GA53")<br>
PLIBS:=$(COLD)/libga.a $(COLD)/libarmci.a $(MPI_LIBS)<br>
<br>
</div>
<div class="moz-cite-prefix">So, Columbus is now looking for libga.a and libarmci.a, which are the two files I actually have.</div>
<p>If you don't want to mess with install.config, you can also modify the PLIBS directly in the makefile to reflect the library files you have from GA.</p>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">-Felix<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 07/06/2022 20:47, Zihan Pengmei via Columbus wrote:<br>
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<blockquote type="cite" cite="mid:LV2PR11MB5997C86F86B93D791C516458BAA59@LV2PR11MB5997.namprd11.prod.outlook.com">
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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.
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<p class="MsoNormal"><span style="font-size:11.0pt">Hi Felix,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="p1"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif">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: </span>
<span style="font-size:8.5pt"> ../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<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Any suggestions?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Thanks,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Zihan <o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<div style="border:none;border-top:solid #B5C4DF
1.0pt;padding:3.0pt 0in 0in 0in">
<p class="MsoNormal" style="margin-bottom:12.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">Zihan Pengmei <a class="moz-txt-link-rfc2396E" href="mailto:zpengmei@uchicago.edu">
<zpengmei@uchicago.edu></a><br>
<b>Date: </b>Tuesday, June 7, 2022 at 10:02 AM<br>
<b>To: </b><a class="moz-txt-link-abbreviated" href="mailto:columbus@lists.osc.edu">columbus@lists.osc.edu</a>
<a class="moz-txt-link-rfc2396E" href="mailto:columbus@lists.osc.edu"><columbus@lists.osc.edu></a><br>
<b>Subject: </b>Re: Installing Columbus with OpenMolcas <o:p></o:p></span></p>
</div>
<p class="MsoNormal"><span style="font-size:11.0pt">Hi all,</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Much appreciated for all of advice! I actually later found this problem and successfully compiled the sequential version, but failed at installing PARALLEL.</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt">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:</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt">(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?)
</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt">(Sorry for bothering on this, because I am running on cluster so it’s not easy to use precompiled 7.1 version.)</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> </span><o:p></o:p></p>
<p class="p1"><span class="s1">===== ./colinstall.sh: pciudg =====</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:22: INCFILE= /zpengmei/columbus/Columbus/machine.cfg/linux64.ifc</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:50: GAVERSION=GA58:</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:65: PMAKE= yes</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:69: setting DKEYWORDSLOCAL 1</span><span class="apple-converted-space">
</span><span class="s1">to -DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10</span><span class="apple-converted-space">
</span><span class="s1">-DPARALLEL -DMPI</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:70: setting CPPDIRLOCAL 1</span><span class="apple-converted-space">
</span><span class="s1">to -I /zpengmei/columbus/Columbus/source/dalton/include -DCOLUMBUS</span><span class="apple-converted-space">
</span><span class="s1">-DSYS_LINUX -DPTR64 -Df90</span><span class="apple-converted-space">
</span><span class="s1">-DVAR_BLAS3 -DINT64</span><span class="apple-converted-space">
</span><span class="s1">-DPARALLEL -DMPI</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:81: setting DKEYWORDSLOCAL 3</span><span class="apple-converted-space">
</span><span class="s1">to -DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DFORMATDOLLAR -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50 -DMOLCAS_LABEL10</span><span class="apple-converted-space">
</span><span class="s1">-DPARALLEL -DMPI -DMOLCAS -DMOLCAS_INT64</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:82: LIBMOLCAS set to $LIBMOLCAS</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:85: PLIBS= /zpengmei/columbus/Columbus/libglobal.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libarmci.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libtcgmsg-mpi.a </span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/</span><span class="s2">libma.a</span><span class="apple-converted-space">
</span><span class="s1">/software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:90: setting PLIBS to</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libglobal.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libarmci.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libtcgmsg-mpi.a </span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/</span><span class="s2">libma.a</span><span class="apple-converted-space">
</span><span class="s1">/software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:91: setting LIBS to</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/colib.a</span><span class="apple-converted-space">
</span><span class="s1">/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 </span><span class="apple-converted-space"> </span>
<span class="s1">-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</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:92: setting LIBS2 to</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/colib.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libmolcas_col.a</span><span class="apple-converted-space">
</span><span class="s1">/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 </span><span class="apple-converted-space"> </span>
<span class="s1">-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</span><o:p></o:p></p>
<p class="p1"><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/makefile:105: cpp WITH_REDIRECTON</span><span class="apple-converted-space">
</span><span class="s1">::</span><o:p></o:p></p>
<p class="p1"><span class="s1">$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
</span><span class="apple-converted-space"> </span><span class="s1">ciudg_diag.o ciudg_allin.o</span><span class="apple-converted-space">
</span><span class="s1">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
</span><span class="apple-converted-space"> </span><span class="s1">/zpengmei/columbus/Columbus/libdalton2.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libglobal.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libarmci.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libtcgmsg-mpi.a </span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/</span><span class="s2">libma.a</span><span class="apple-converted-space">
</span><span class="s1">/software/intel/parallel_studio_xe_2018_update4/impi/2018.4.274/intel64/lib/libmpi.a
</span><span class="apple-converted-space"> </span><span class="s1">-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</span><span class="apple-converted-space"> </span>
<span class="s1">/zpengmei/columbus/Columbus/colib.a</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libmolcas_col.a</span><span class="apple-converted-space">
</span><span class="s1">/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 </span><span class="apple-converted-space"> </span>
<span class="s1">-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</span><o:p></o:p></p>
<p class="p1"><span class="s1">gfortran: error:</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libglobal.a: No such file or directory</span><o:p></o:p></p>
<p class="p1"><span class="s1">gfortran: error:</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/libtcgmsg-mpi.a: No such file or directory</span><o:p></o:p></p>
<p class="p1"><span class="s1">gfortran: error:</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/</span><span class="s2">libma.a</span><span class="s1">: No such file or directory</span><o:p></o:p></p>
<p class="p1"><span class="s1">gmake: *** [ /zpengmei/columbus/Columbus/makefile:388: pciudg.x] Error 1</span><o:p></o:p></p>
<p class="p1"><span class="s1">+ for i in $*</span><o:p></o:p></p>
<p class="p1"><span class="s1">+ cp pciudg.x</span><span class="apple-converted-space">
</span><span class="s1">/zpengmei/columbus/Columbus/pciudg.x</span><o:p></o:p></p>
<p class="p1"><span class="s1">cp: cannot stat 'pciudg.x': No such file or directory</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> </span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Much appreciated!</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Zihan Pengmei</span><o:p></o:p></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> </span><o:p></o:p></p>
<div style="border:none;border-top:solid #B5C4DF
1.0pt;padding:3.0pt 0in 0in 0in">
<p class="MsoNormal" style="margin-bottom:12.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">Columbus <a class="moz-txt-link-rfc2396E" href="mailto:columbus-bounces+zpengmei=uchicago.edu@lists.osc.edu">
<columbus-bounces+zpengmei=uchicago.edu@lists.osc.edu></a> on behalf of <a class="moz-txt-link-abbreviated" href="mailto:columbus-request@lists.osc.edu">
columbus-request@lists.osc.edu</a> <a class="moz-txt-link-rfc2396E" href="mailto:columbus-request@lists.osc.edu">
<columbus-request@lists.osc.edu></a><br>
<b>Date: </b>Tuesday, June 7, 2022 at 9:18 AM<br>
<b>To: </b><a class="moz-txt-link-abbreviated" href="mailto:columbus@lists.osc.edu">columbus@lists.osc.edu</a>
<a class="moz-txt-link-rfc2396E" href="mailto:columbus@lists.osc.edu"><columbus@lists.osc.edu></a><br>
<b>Subject: </b>Columbus Digest, Vol 112, Issue 2</span><o:p></o:p></p>
</div>
<div>
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<br>
Today's Topics:<br>
<br>
1. Re: Installing Columbus with OpenMolcas (Hans Lischka)<br>
2. Re: Installing Columbus with OpenMolcas (Felix Plasser)<br>
<br>
<br>
----------------------------------------------------------------------<br>
<br>
Message: 1<br>
Date: Mon, 6 Jun 2022 13:03:40 -0500<br>
From: Hans Lischka <a class="moz-txt-link-rfc2396E" href="mailto:hans.lischka@univie.ac.at">
<hans.lischka@univie.ac.at></a><br>
To: <a class="moz-txt-link-abbreviated" href="mailto:columbus@lists.osc.edu">columbus@lists.osc.edu</a><br>
Subject: Re: [Columbus] Installing Columbus with OpenMolcas<br>
Message-ID: <a class="moz-txt-link-rfc2396E" href="mailto:a4fb80f2-4d90-0e3a-19db-59944b0ac590@univie.ac.at">
<a4fb80f2-4d90-0e3a-19db-59944b0ac590@univie.ac.at></a><br>
Content-Type: text/plain; charset="UTF-8"; format=flowed<br>
<br>
Hi Zihan,<br>
<br>
Here is my interpretation of the problem:<br>
The file libma.a is missing in the loading process (should be in <br>
/zpengmei/columbus/Columbus/libma.a). This is GA library. You should <br>
find this file (and two others, like libga.a and a third one) in the <br>
libs directory of the GA installation. Copy them to the main Columbus <br>
directory<br>
<br>
Best regards, Hans<br>
<br>
On 6/5/2022 9:35 PM, Zihan Pengmei via Columbus wrote:<br>
> Dear Columbus developers, I am trying to compile a Columbus 7.0.2 <br>
> interfacing with openmolcas and sharc on the cluster(with intel <br>
> compiler, mkl2020, intelmpi/2018.4), but having the following complaint: <br>
> ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?<br>
> <br>
> Dear Columbus developers,<br>
> <br>
> ??????????????? I am trying to compile a Columbus 7.0.2 interfacing <br>
> with openmolcas and sharc on the cluster(with intel compiler, mkl2020, <br>
> intelmpi/2018.4), but having the following complaint:<br>
> <br>
> e_2020_update1/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread <br>
> -lm -ldl /zpengmei/columbus/Columbus/libma.a<br>
> <br>
> ifort: error #10236: File not found:'/zpengmei/columbus/Columbus/libma.a'<br>
> <br>
> gmake: *** [/zpengmei/columbus/Columbus/makefile:345: molcas.a] Error 1<br>
> <br>
> ??????????????? Just to clarify, I did git clone and compiled the <br>
> openmolcas for columbus 7 from gitlab, one parallel version with <br>
> intelmpi, mkl , intel compiler and ga 5.8.2, and another serial version <br>
> with intel compiler, mkl.<br>
> <br>
> In install.config, I tried MOLCAS/PMOLCAS both keywords with <br>
> corresponding versions, but neither of them worked out and came up with <br>
> this warning when installing standard.<br>
> <br>
> ??????????????? I checked openmolcas/libs and ga/libs and I didn?t find <br>
> libma.a anywhere. Any help would be very useful!<br>
> <br>
> Thanks,<br>
> <br>
> Zihan Pengmei<br>
> <br>
> <br>
> _______________________________________________<br>
> Columbus mailing list<br>
> <a class="moz-txt-link-abbreviated" href="mailto:Columbus@lists.osc.edu">Columbus@lists.osc.edu</a><br>
> <a href="https://lists.osu.edu/mailman/listinfo/columbus" moz-do-not-send="true" class="moz-txt-link-freetext">
https://lists.osu.edu/mailman/listinfo/columbus</a><br>
<br>
<br>
<br>
------------------------------<br>
<br>
Message: 2<br>
Date: Tue, 7 Jun 2022 14:17:34 +0000<br>
From: Felix Plasser <a class="moz-txt-link-rfc2396E" href="mailto:F.Plasser@lboro.ac.uk">
<F.Plasser@lboro.ac.uk></a><br>
To: <a class="moz-txt-link-rfc2396E" href="mailto:columbus@lists.osc.edu">"columbus@lists.osc.edu"</a>
<a class="moz-txt-link-rfc2396E" href="mailto:columbus@lists.osc.edu"><columbus@lists.osc.edu></a><br>
Subject: Re: [Columbus] Installing Columbus with OpenMolcas<br>
Message-ID: <a class="moz-txt-link-rfc2396E" href="mailto:0d3fc882-a1be-0890-4057-c315ab687fca@lboro.ac.uk">
<0d3fc882-a1be-0890-4057-c315ab687fca@lboro.ac.uk></a><br>
Content-Type: text/plain; charset="utf-8"<br>
<br>
Hi, I just remembered what this is. libma.a is only relevant for older <br>
versions of Molcas. You can deactivate libma.a by setting in install.config:<br>
<br>
VMOLCAS 8.0<br>
<br>
But, in any case, I will make this the default. I don't think that <br>
Columbus would be compatible with MOLCAS < 8 anyway ...<br>
<br>
-Felix<br>
<br>
On 06/06/2022 19:03, Hans Lischka via Columbus wrote:<br>
> ** THIS MESSAGE ORIGINATED OUTSIDE LOUGHBOROUGH UNIVERSITY **<br>
><br>
> ** Be wary of links or attachments, especially if the email is <br>
> unsolicited or you don't recognise the sender's email address. **<br>
><br>
> Hi Zihan,<br>
><br>
> Here is my interpretation of the problem:<br>
> The file libma.a is missing in the loading process (should be in<br>
> /zpengmei/columbus/Columbus/libma.a). This is GA library. You should<br>
> find this file (and two others, like libga.a and a third one) in the<br>
> libs directory of the GA installation. Copy them to the main Columbus<br>
> directory<br>
><br>
> Best regards, Hans<br>
><br>
> On 6/5/2022 9:35 PM, Zihan Pengmei via Columbus wrote:<br>
>> Dear Columbus developers, I am trying to compile a Columbus 7.0.2<br>
>> interfacing with openmolcas and sharc on the cluster(with intel<br>
>> compiler, mkl2020, intelmpi/2018.4), but having the following complaint:<br>
>> ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? <br>
>> ? ?<br>
>><br>
>> Dear Columbus developers,<br>
>><br>
>> ???????????????? I am trying to compile a Columbus 7.0.2 interfacing<br>
>> with openmolcas and sharc on the cluster(with intel compiler, mkl2020,<br>
>> intelmpi/2018.4), but having the following complaint:<br>
>><br>
>> e_2020_update1/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread<br>
>> -lm -ldl /zpengmei/columbus/Columbus/libma.a<br>
>><br>
>> ifort: error #10236: File not <br>
>> found:'/zpengmei/columbus/Columbus/libma.a'<br>
>><br>
>> gmake: *** [/zpengmei/columbus/Columbus/makefile:345: molcas.a] Error 1<br>
>><br>
>> ???????????????? Just to clarify, I did git clone and compiled the<br>
>> openmolcas for columbus 7 from gitlab, one parallel version with<br>
>> intelmpi, mkl , intel compiler and ga 5.8.2, and another serial version<br>
>> with intel compiler, mkl.<br>
>><br>
>> In install.config, I tried MOLCAS/PMOLCAS both keywords with<br>
>> corresponding versions, but neither of them worked out and came up with<br>
>> this warning when installing standard.<br>
>><br>
>> ???????????????? I checked openmolcas/libs and ga/libs and I didn?t find<br>
>> libma.a anywhere. Any help would be very useful!<br>
>><br>
>> Thanks,<br>
>><br>
>> Zihan Pengmei<br>
>><br>
>><br>
>> _______________________________________________<br>
>> Columbus mailing list<br>
>> <a class="moz-txt-link-abbreviated" href="mailto:Columbus@lists.osc.edu">Columbus@lists.osc.edu</a><br>
>> <a href="https://lists.osu.edu/mailman/listinfo/columbus" moz-do-not-send="true" class="moz-txt-link-freetext">
https://lists.osu.edu/mailman/listinfo/columbus</a><br>
><br>
> _______________________________________________<br>
> Columbus mailing list<br>
> <a class="moz-txt-link-abbreviated" href="mailto:Columbus@lists.osc.edu">Columbus@lists.osc.edu</a><br>
> <a href="https://lists.osu.edu/mailman/listinfo/columbus" moz-do-not-send="true" class="moz-txt-link-freetext">
https://lists.osu.edu/mailman/listinfo/columbus</a><br>
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<br>
<br>
------------------------------<br>
<br>
Subject: Digest Footer<br>
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<br>
------------------------------<br>
<br>
End of Columbus Digest, Vol 112, Issue 2<br>
****************************************</span><o:p></o:p></p>
</div>
</div>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Columbus mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Columbus@lists.osc.edu">Columbus@lists.osc.edu</a>
<a class="moz-txt-link-freetext" href="https://lists.osu.edu/mailman/listinfo/columbus">https://lists.osu.edu/mailman/listinfo/columbus</a></pre>
</blockquote>
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