Dear All,
I had posted part of the error below. I still have not the problem solved,
everything from gromacs runs, including short energy minimizations, but if I
run an MD I get the log ending;
Started mdrun on node 0 Thu Dec 9 16:56:10 2010
Step Time Lambda
0 0.00000 0.00000
Grid: 10 x 10 x 10 cells
Long Range LJ corr.: <C6> 2.3566e-03
Long Range LJ corr.: Epot -59.767, Pres: -0.198483, Vir: 29.8835
Energies (kJ/mol)
G96Bond G96Angle Proper Dih. Improper Dih. LJ-14
1.19873e+04 5.04804e+03 5.15110e+03 1.67253e+03 1.49605e+00
Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) RF excl.
1.15200e+05 2.87676e+09 -5.97670e+01 -1.24355e+05 -7.20279e+04
Potential Kinetic En. Total Energy Temperature Pressure (bar)
2.87670e+09 4.35260e+17 4.35260e+17 4.13944e+15 9.63648e+14
________________________
and the error log;
Reading file
/home/ubelix/l_insel_ria/l_watkins/gormacswork/Test4gromacs/md1.tpr, VERSION
4.0.7 (double precision)
starting mdrun 'Protein'
100000 steps, 200.0 ps.
[cnode33:13647] *** Process received signal ***
[cnode33:13647] Signal: Segmentation fault (11)
[cnode33:13647] Signal code: Address not mapped (1)
[cnode33:13647] Failing at address: 0x237fa90
[cnode33:13647] [ 0] /lib/libpthread.so.0(+0xf010) [0x2b6e69c97010]
[cnode33:13647] [ 1] /usr/lib/libgmx_mpi_d.so.5(+0x115564) [0x2b6e69491564]
[cnode33:13647] *** End of error message ***
I am trying still to find out how to fix it, and if it is a problem with the
two files listed, or they are just the last ones called.
Hollidays
Stephan Watkins
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