[gmx-users] Can 3.3.3 and 4.0.5 version exist at the same time?

[Chih-Ying Lin]

Hi
The 3.3.3 and 4.0.5 version were installed under =>
*
source /usr/gromacs/4.0.5/setup.sh
source /usr/gromacs/3.3.3/setup.sh*

*The 4.0.5 version is currently the default one.*
I want to compare the computation results from 4.0.5 version and 3.3.3
version.


So, I write the
*source /usr/gromacs/3.3.3/setup.sh*
into both my .cshrc file and .pbs file.



After this command for 3.3.3 version
grompp_mpi -np 16 -v -f minim.mdp -c 6LYZ.gro -p 6LYZ.top -o
6LYZ-EM-vacuum.tpr

I obtained the errors shown on the screen.
-------------------------------------------------------
Program grompp_mpi, VERSION 4.0.5
Source code file: statutil.c, line: 727

Invalid command line argument:
-np
-------------------------------------------------------

"I Wrapped a Newspaper Round My Head" (F. Zappa)



What happened?
How to solve the problem?


Thank you
Lin
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