[gmx-users] problem in md run

Meenakshi Rajput ashi.rajput39 at gmail.com
Wed Apr 9 06:03:29 CEST 2014


I tried to perform mdrun on myo.pdb by using command "g_mdrun -v -s
m.tpr -o minim_traj.trr -c myo.gro -e minim_ener.edr". But I got the
following error:-
Reading file m.tpr, VERSION 4.6.5 (single precision)
Using 1 MPI thread

WARNING: Oversubscribing the available 0 logical CPU cores with 1
thread-MPI threads.
         This will cause considerable performance loss!
Segmentation fault (core dumped).
You asked about hardware and operating system.
Memory: 3.7GiB
Processor: Intel Core i3 CPU 550 @ 3.20GHz x 4
OS type: 64bit
Disk: 65GB


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