[gmx-users] grompp -debug gives MPI_INIT errors (but seems to run without -debug flag)
spoel at xray.bmc.uu.se
Tue Mar 8 22:01:13 CET 2005
On Tue, 2005-03-08 at 14:36 -0600, Sabuj Pattanayek wrote:
> I was having mdrun crashes so I decided to get more output from the
> grompp setup phase using the "-debug" flag. Whenever I run grompp with
> this flag I get the following errors (I tried the following with and
> without initiating lamboot):
this is a known bug that is fixed in cvs.
try running grompp -v
if you have further questions please send them to the list.
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
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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