[gmx-users] Re: installation problem on Compaq Alpha ev68 with Tru64 unix OS (Erik Lindahl) (David)
spoel at xray.bmc.uu.se
Tue Dec 16 20:16:02 CET 2003
On Tue, 2003-12-16 at 21:26, Wei Fu wrote:
> Hi, David,
> Thanks for your reply.
> I installed gromacs3.2.0beta on Tru64. I use tcsh shell.
> grompp and gmxdump work well. but most of commands do not work.
these are sequential programs, the ones you mention are parallel ones.
Since you compiled with mpi support, there should be some external
program to start parallel jobs. Usually it is necessary only when you do
mdrun. Check your local MPI installation. Which one is it?
> disco: GenCap: i 0 ctx 60-60-60 Entries 1 Nodes 0-0 Railmask 1
> Segmentation fault (core dumped)
> ffscan: Segmentation fault (core dumped)
> g_anaeig: bad substitution
> g_analyze: bad substitution
> g_angle: bad substitution
this stuff is weird, but maybe you can copy one of the scripts to your
cp `which g_analyze` ~
and try to see what causes the problem
David van der Spoel, PhD, Assist. 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
More information about the gromacs.org_gmx-users