Dear Amber folks,
The test run,
cd tgtmd/change_target.ntr && ./Run.tgtmd
SANDER: Targeted MD with changing target and restraints
is taking more time, than it should be taking. It is not displaying any errors, nor moving onto the next test. It is happening, whenever we run the tests in the solaris 10 x86 machines.
Some people have encountered the same problem on some previous occasions. But they had the error message, more residues than processors. It is only when they are running the test on parallel and not on serial.
Here we are trying in for the serial version but somehow we run into this error.
We are using AMD opteron chips, GCC 3.4.6 compiler (from sunfreeware) along with g95 fortran compiler.
Amber was configured with the option of -gnucompat flag.
All the patches were added.
Help on this please...
Thanks
Mani
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Received on Sun Feb 01 2009 - 01:19:50 PST
