Hi Loris, That should be fixed by my patch "GAMESS-US-20230630_add_slurm_support_mpi_target.patch". Are you using it in your easyconfig?
Alex Domingo Scientific Data & Compute VUB - Informatie & Communicatietechnologie Pleinlaan 9 - 1050 Brussel https://hpc.vub.be ________________________________________ From: [email protected] <[email protected]> on behalf of Loris Bennett <[email protected]> Sent: Tuesday, 19 December 2023 14:34 To: [email protected] Subject: Re: [easybuild] Reason for no recent US-GAMESS? Hi Alex, Alex DOMINGO TORO <[email protected]> writes: > Hi Loris, > > I got the same errors with libxc v6.2.2 in gompi/2023a. GAMESS-US > v2023 does not yet support the newer libxc v6. So I pushed this > easyconfig of gamess down to `gompi/2022a` where we still have libxc > v5. > > libxc is indeed optional though, so it is also possible to make an > easyconfig without libxc in `gompi/2023`. But my users want it, so I > have to add it. > > I also fixed the issues with the tests and now the builds with EasyBuild are > working. > > You can find my easyconfigs for GAMESS-US v20220930 and v20230630 in > https://github.com/easybuilders/easybuild-easyconfigs/pull/19310 Thanks for the new EC. The build seems to go OK, but I get the following in the test step: ... setenv GMCCCS /tmp/eb-ztp6ke_3/tmpzifeb6n8/exam27.F99 unset echo Alas, MPI only supports SGE, PBS, or user-given node lists. Please locate this place in the script and edit it. (at easybuild/software/EasyBuild/4.8.2/lib/python3.6/site-packages/easybuild/tools/run.py:681 in parse_cmd_output) == 2023-12-19 14:19:01,748 filetools.py:2012 INFO Removing lock /trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_GAMESS-US_20230630-R2-gompi-2022a.lock... == 2023-12-19 14:19:01,748 filetools.py:383 INFO Path /trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_GAMESS-US_20230630-R2-gompi-2022a.lock successfully removed. == 2023-12-19 14:19:01,748 filetools.py:2016 INFO Lock removed: /trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_GAMESS-US_20230630-R2-gompi-2022a.lock == 2023-12-19 14:19:01,748 easyblock.py:4277 WARNING build failed (first 300 chars): cmd "export OMP_NUM_THREADS=1; SCR=/tmp/eb-ztp6ke_3/tmpzifeb6n8 /trinity/shared/easybuild/software/GAMESS-US/20230630-R2-go mpi-2022a/rungms exam27 20230630-R2 8 8" exited with exit code 9 and output: 1 : exam27 2 : 20230630-R2 3 : 8 4 : 8 ... I am not sure what the line Alas, MPI only supports SGE, PBS, or user-given node lists. is trying to tell me. [snip (182 lines)] Cheers, Loris -- Dr. Loris Bennett (Herr/Mr) FUB-IT (ex-ZEDAT), Freie Universität Berlin
