Search found 3 matches

by Matthias Winkelmann
Mon Apr 13, 2009 2:55 pm
Forum: OpenMM
Topic: Trouble getting openMM/Gromacs working
Replies: 11
Views: 2266

RE: Trouble getting openMM/Gromacs working

I was right, I _was_ doing something stupid. It did just call it mdrun as you said, thank you.

It's not using cuda, but that's probably just because I'm not using AMBER, will have to try that tomorrow.
by Matthias Winkelmann
Mon Apr 13, 2009 1:15 pm
Forum: OpenMM
Topic: Trouble getting openMM/Gromacs working
Replies: 11
Views: 2266

RE: Trouble getting openMM/Gromacs working

<t>No, I got those compiling Gromacs4.3pre_for_OpenMMZephyr0.2_Source.tar.gz<br/> <br/> I might be on a completely wrong path. I first tried a simple ./configure make make install and got the errors above. I tried the --disable-ia32-.. options for configure and it compiled without problems, but it d...
by Matthias Winkelmann
Mon Apr 13, 2009 9:52 am
Forum: OpenMM
Topic: Trouble getting openMM/Gromacs working
Replies: 11
Views: 2266

RE: Trouble getting openMM/Gromacs working

<t>Still working on getting it running, but it seems that ia32 - capabilities are misdetected by configure. I get lots of errors like nb_kernel_ia32_3dnow/nb_kernel101_ia32_3dnow.s:776: Error: suffix or operands invalid for `pop'.<br/> <br/> ./configure --disable-ia32-3dnow --disable-ia32-sse seems ...