First of all, shame on you for not taking this to a gromacs mailing list. Alan Wilter Sousa da Silva wrote on Fri, Oct 25, 2002 at 12:24:37PM -0200 : > > I asked her about that. She's running gromacs (www.gromacs.org), a > programme for molecular dynamics. I asked for the commands lines she's > executing, but she didn't send me it yet.
Assuming the commandline is 'gromacs arg1 arg2 arg3', then have her run
'strace gromacs arg1 arg2 arg3 > ~/gromacs.log 2>&1'
don't run it for very long because it will grow large very quickly.
then process it with
'cat gromacs.log | grep map > gromacs2.log'
Now look through gromacs2.log and see if there is a pattern of mapping
memory and not unmapping it when it's done with it. A return result of
0xNNNNNNNN is a success. That hexadecimal number is the address of
memory of the first byte that was allocated (ie a pointer).
Wouldn't hurt to look through gromacs.log to see what all is happening
around those memory map and unmap requests. There might be some other
obscure failure that's occurring that is causing the program to hang and
not complete that portion of its program.
More than likely it's just a poorly written program.
Blue skies... todd
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