[gmx-users] disable ulimit

[Gustavo Fioravanti]

Hi,

we are trying to run mdrun_mpi in a public cluster of our university. However, we got the following error:

/etc/profile.d/limits.sh: line 1: ulimit: max locked memory: cannot modify limit: Operation not permitted

/var/tmp/sge_local_spool/r01n19/job_scripts/3051: line 10: grompp_mpi: command not found

The
cluster has already settled to unlimited access to memory. However,
grompp hasn't have permission to modify this file (limits.sh).


I would like to disable the ulimit function at source file from GROMACS. How can I do that? 

Thanks,


Dr Gustavo Fioravanti Vieira Núcleo de Bioinformática do Laboratório de Imunogenética       Bolsista PNPD do Programa de Pós-Graduação em Genética e Biologia MolecularUFRGS


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