Hi,
I just installed gmx 3.3.2 on i686 and x86_64 linux architectures with
kernel 2.4 / 2.6, and gcc 3.3.2 / 4.1.1 respectively. I get the
following error message when running mdrun (with input files working
with version 3.3.1):
-------------------------------------------------------
Program mdrun, VERSION 3.3.2
Source code file: network.c, line: 437
Routine should not have been called:
gmx_sumi
-------------------------------------------------------
This happens even when running mdrun -rerun, and on both i686 and x86_64
architectures. The crash happens with reaction field, but not with
cutoff on the electrostatics.
I ran the gmxtest suite, and the error appears in
./gmxtest/complex/acetonitrilRF, which is also the only testcase unsing
reaction field...
Cheers,
M
--
==========================================================
Michel Cuendet, Ph.D
Molecular Modeling Group
Swiss Institute of Bioinformatics
CH-1015 Lausanne, Switzerland
www.isb-sib.ch/groups/Molecular_Modeling.htm
==========================================================
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