[gmx-users] input/output error when running Hessian matrix in double precision
Collins Nganou
nganoucollins at gmail.com
Wed May 28 15:35:48 CEST 2008
Dear gmx-users.
Greetings.
I am trying to calculate Hessian matrix by using gromacs 3.3.3.
But I receive the following error when I am running :mdrun_d -s 3ns -c
equil.gro -g md.log -e 3ns_ener.edr -mtx nm.mtx
I didn't understand what is wrong.
########################################################################
-------------------------------------------------------
Program mdrun_d, VERSION 3.3.3
Source code file: futil.c, line: 313
File input/output error:
md.log
-------------------------------------------------------
"Correctomundo" (Pulp Fiction)
Halting program mdrun_d
gcq#117: "Correctomundo" (Pulp Fiction)
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_13474: p4_error: : -1
p4_error: latest msg from perror: No such file or directory
############################################################################
Please someone can tell me how I can do to solve it.
can I already have a link for gromacs 3.3.3 doc.
Thanks a lot for all help.
Collins.
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