tag:blogger.com,1999:blog-1160573448472385470.post4589293315664817631..comments2023-12-11T10:15:40.943+00:00Comments on BioChemical matters: Gamess (US) frequently asked questions Part 2: Installation in Linux boxesUnknownnoreply@blogger.comBlogger9125tag:blogger.com,1999:blog-1160573448472385470.post-21174553758731754042019-07-03T10:30:55.827+01:002019-07-03T10:30:55.827+01:00This comment has been removed by a blog administrator.Biosynhttps://www.blogger.com/profile/09726902886879099510noreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-45321032051716093562014-09-18T06:51:10.216+01:002014-09-18T06:51:10.216+01:00I used this command "ompi_info -a | grep '...I used this command "ompi_info -a | grep 'Fort integer size"<br /> and it gave me this " Fort integer size: 4<br />Dr. Mahmoud Hammourihttps://www.blogger.com/profile/00659229091877581918noreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-33860615176898632692014-09-18T06:49:17.905+01:002014-09-18T06:49:17.905+01:00Thx Pedro for answering, I'm new and I'm u...Thx Pedro for answering, I'm new and I'm using super computer so I have no idea how to find what mpi is available Dr. Mahmoud Hammourihttps://www.blogger.com/profile/00659229091877581918noreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-32047766775059977302014-09-17T09:56:54.670+01:002014-09-17T09:56:54.670+01:00The linkwer messages seem to related to the locati...The linkwer messages seem to related to the location of your MPI implementation. Are you sure you have the proper mpi installed in your machine?PedroShttps://www.blogger.com/profile/02404776246982814786noreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-2074292987283800872014-09-16T22:35:27.619+01:002014-09-16T22:35:27.619+01:00I've got these errors :
Linker messages (if an...I've got these errors :<br />Linker messages (if any) follow...<br />/usr/lib64/gcc/x86_64-suse-linux/4.6/../../../../x86_64-suse-linux/bin/ld: cannot find -lmpi<br />/usr/lib64/gcc/x86_64-suse-linux/4.6/../../../../x86_64-suse-linux/bin/ld: cannot find -lmpigf<br />/usr/lib64/gcc/x86_64-suse-linux/4.6/../../../../x86_64-suse-linux/bin/ld: cannot find -lmpigi<br />collect2: ld returned 1 exit status<br /> <br />Unfortunately, there was an error while linking GAMESS.<br />0.271u 0.113s 0:00.39 97.4% 0+0k 0+8io 0pf+0w<br />Dr. Mahmoud Hammourihttps://www.blogger.com/profile/00659229091877581918noreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-69007508683418889812014-06-17T10:56:35.326+01:002014-06-17T10:56:35.326+01:00I have updated the link to the hints for openmpi. ...I have updated the link to the hints for openmpi. I am afraid I cannot be of more help as I have not installed it under openMPI myself.<br /><br />http://diracprogram.org/doc/release-12/installation/int64/mpi.htmlPedroShttps://www.blogger.com/profile/02404776246982814786noreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-51300662232382044662014-06-17T05:11:57.027+01:002014-06-17T05:11:57.027+01:00thanks a lot for the informative post.
since impi ...thanks a lot for the informative post.<br />since impi is rather expensive could you show how to compile using openmpi? Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-6142104017498136022013-06-27T10:38:27.407+01:002013-06-27T10:38:27.407+01:00Thanks for the extra info!
I have now also corre...Thanks for the extra info! <br /><br />I have now also corrected the usr/loca/ typosPedroShttps://www.blogger.com/profile/02404776246982814786noreply@blogger.comtag:blogger.com,1999:blog-1160573448472385470.post-82292280134041378552013-06-27T00:21:57.574+01:002013-06-27T00:21:57.574+01:00This is a nice write-up.
Note that if you give a ...This is a nice write-up.<br /><br />Note that if you give a gfortran version higher than 4.7 the GAMESS configure script will exit. It does, however, compile with gfortran 4.7 -- with one exception:<br />In order for exam44.inp to run successfully when GAMESS has been compiled with gfortran 4.7 you need to change the optimization level to 0 in comp. <br /><br />Also, note that /usr/local has been written /usr/loca/ in the post above a couple of times.<br /><br />Nice post!lindqvisthttps://www.blogger.com/profile/11525548328692436184noreply@blogger.com