[gmx-users] Unusual processing time
Xu Dong Huang
xudongh at eden.rutgers.edu
Fri Jan 4 03:29:53 CET 2013
Dear gromac users,
I submitted my NPT run into a MPI cluster. The size of my run system is an 85x85x85 box filled with water solvent. and I set NPT steps to be 1000000 (1million) with dt 0.02. The log says It will finish sometime in mid or towards end of february.
Is that normal for a NPT run of that size? Or am I just faced with slow technology. Or am I doing something wrong (I requested 6 cores for my run)
Please let me know, thanks.
Xu Dong Huang
Chemical & Biochemical Engineering
Rutgers School of Engineering
xudongh at eden.rutgers.edu
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