Dear all, When I'm running gromacs with mdrun, I always receive such message:
The number of threads is not equal to the number of (logical) cores and the -pin option is set to auto: will not pin thread to cores. This can lead to significant performance degradation. Consider using -pin on (and -pinoffset in case you run multiple jobs). The server I use has 128 cores, and usually I use mdrun with flag -nt 32 or -nt 64 to specify the threads, I also notice there's large performance lost in each run. I wonder what's the difference between '-pin on' and '-pinoffset'. I usually run multi jobs on the server so will '-pin on' or '-pinoffset' affect the other jobs? If I use '-pinoffset' what value I should set(suppose I have already use 32 cores for other jobs)? -- Sincerely, Mr. Meng Zhenyu Division of Chemistry and Biological Chemistry School of Physical and Mathematical Sciences Nanyang Technological University -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
