Quantum ESPRESSO nvidia container Slurm example scripts#63
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tonykew wants to merge 6 commits intoubccr:mainfrom
Open
Quantum ESPRESSO nvidia container Slurm example scripts#63tonykew wants to merge 6 commits intoubccr:mainfrom
tonykew wants to merge 6 commits intoubccr:mainfrom
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Initial commit Tested on all the GPUs in the Center - does not run on L40S GPUs Tested succesfully with both ccrsoft/2023.01 ans crsoft/2024.04 both single and multi-node jobs Tony
For 2 node jobs, added the "wfcdir" parameter to the input file.
This change uses ${SLURMTMPDIR} to store per process files on local
scratch rather than global scratch
Tony
Fixed some layout issues All script work under both ccrsoft/2023.01 and ccrsoft/2024.4 Tony
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Initial commit
Tested on all the GPUs in the Center - does not run on L40S GPUs, runs on
all the others (given enough GPU ram.)
Tested successfully with both ccrsoft/2023.01 and ccrsoft/2024.04 both single and
multi-node jobs
Tested with all the IB networks at the Center (under both ccrsoft/2023.01 and
ccrsoft/2024.04)
Tony