Hi Alex, Alex DOMINGO TORO <[email protected]> writes:
> Hi Loris, > > Then make sure that $SLURM_JOB_ID is defined in your installation and it will > work. OK, thanks. I ran the build within a Slurm job and the program compiled fine. > GAMESS-US v2023 changed how it executes itself with MPI and now it expects > the context of job with some nodefile. However, the tests failed with orterun -np 8 --npernode 8 /trinity/shared/easybuild/software/GAMESS-US/20230930-R2-gompi-2022a/gamess.20230930-R2.x -------------------------------------------------------------------------- There are not enough slots available in the system to satisfy the 8 slots that were requested by the application: The job script looks like #SBATCH --nodes=1 #SBATCH --ntasks=1 #SBATCH --cpus-per-task=8 #SBATCH --time=72:00:00 #SBATCH --mem-per-cpu=8G #SBATCH --partition=main #SBATCH --qos=prio module purge module add EasyBuild sleep 60 eb GAMESS-US-20230930-R2-gompi-2022a.eb --robot --from-pr=19310 --include-easyblocks-from-pr=3047 --parallel=8 The options to 'orterun' orterun -np 8 --npernode 8 don't look right to me. Cheers, Loris [snip (167 lines)] -- Dr. Loris Bennett (Herr/Mr) FUB-IT (ex-ZEDAT), Freie Universität Berlin
