Dear Gromacs users,
I am trying to do Parellel calculations using Gromacs on a Rocks cluster
that has MPI enabled.
Has anybody encountered the following error:
Program mdrun, VERSION 3.3.1
Source code file: init.c, line: 69
Fatal error:
run input file RecpAntiP-cl#1-SG-consP-L0-1-G.tpr was made for 2 nodes,
while mdrun expected it to be for 1 nodes.
-------------------------------------------------------
"Fresh Air, Green Hair" (Frank Black)
Halting program mdrun
gcq#303: "Fresh Air, Green Hair" (Frank Black)
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_31660: p4_error: : -1
p4_error: latest msg from perror: No such file or directory
p0_31659: p4_error: : -1
I ran this command for Parellel calculation:
mpirun -np 2 mdrun -deffnm filename
Thanks in advance,
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