naga raju wrote:
Dear gmx users,
I am using mdrun command in pentium-4
redhat linux, job was completed without any errors.
When I use the same files in cluster(redhat
enterprizes OS), I got the following error,
Grid: 14 x 14 x 15 cells
Configuring nonbonded kernels...
Testing x86_64 SSE2 support... present.
do you mean that you use the same tpr file in another machine and get
lincs errors? Did you use the same mdrun binary?
In that case please submit a bugzilla.
If the binaries are different please check your compilers etc.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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