[gmx-users] About Error in mdrun
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
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
!!!!! ABORTING RUN
Segmentation fault (core dumped)
To avoid this May i use -pin on ?
Thnaks in advance
More information about the gromacs.org_gmx-users