[gmx-users] About Error in mdrun

vidhya sankar scvsankar_agr at yahoo.com
Fri Aug 16 17:51:13 CEST 2013

Dear justin Thank you for your previous reply
 When i run the md in gromacs 4.6.2 with plumed1.3   Plugin i have got the error as follows

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
      This can lead to significant performance degradation.
      Consider using -pin on (and -pinoffset in case you run
      multiple jobs).

Back Off! I just backed up CNTPEPRSOLIONSfull.trr to

Back Off! I just backed up CNTPEPRSOLIONSfull.edr to

WARNING: This run will generate roughly 273370 Mb of data

starting mdrun 'C225N99O45 in water'
100000000 steps, 200000.0 ps.
!!!!! PLUMED ERROR: PluMed dead with errors: check log file
Segmentation fault (core dumped)

To avoid this May i use  -pin on ?

Thnaks in advance 

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