[gmx-users] Genion failing in parallel runs.
Bhanu
bhanuiitr at gmail.com
Tue Aug 26 14:58:25 CEST 2008
Hi,
I'm using Gromacs 3.3.3, installed with double precision. When I run genion
with this command:
genion_d -s *.tpr -o *.gro -g genion.log -pot pot.pdb -p *.top -neutral
the following error message was generated:
------------------------------------------------------------------------
Program genion_d Version 3.3.3
sourcecode file: init.c, line 69
Fatal error:
run input file prakash.tpr was made for 32 nodes
while genion_d expected it to be for 1 node
------------------------------------------------------------------------------
System is "protein in water", dodecahedron box. Everything is fine till
energy minimisation. genion is failing.
Any clue??
Thanks.
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