[gmx-users] Re: installation problem on Compaq Alpha ev68 with Tru64 unix OS (David)
David
spoel at xray.bmc.uu.se
Tue Dec 16 21:43:01 CET 2003
On Tue, 2003-12-16 at 23:37, Wei Fu wrote:
> Thanks, David,
>
> I don't install MPI in my local dir, but the supercomputer support told me they have installed MPI, which is based on MPICH. However, it conforms to
> the MPI 1.2 specification as well as some features of the 2.0 MPI standard.
>
> I set MPI in my shell:
>
> setenv MPICC /usr/bin/cc
> setenv LIBS "-lmpi"
>
> If it is MPI problem, what version MPI should I install, where I can download it? and can I install MPI on my local dir?
>
>
check with your supercomputer center how you should run MPI programs.
>
> I don't understand why cp 'which g_analyze' ~
> but I execute it, the result is " which g_analyze: No such file or directory"
> and I copy g_analyze to my home dir, then execute it, the machine still complains: bad substitution.
>
> How can I check the problem?
>
Try editing the script by commenting out bits, to see where the problem
is.
Which shell are you using? For me it works with sh, bash and tcsh
> Thanks for your support!
>
> Wei
>
> 2003-12-16
> ************************************************************
> Wei Fu (Linda)
> Postdoctoral Research Associate
> Department of Biology and Biochemistry
> University of Houston
> 4800 Calhoun Rd. HSC #402C
> Houston, TX 77204-5001 USA
> Phone:713-743-8355(o) 713-795-9270(h)
> Fax:713-743-8351
> Email: fuwei at adrik.bchs.uh.edu
> http://adrik.bchs.uh.edu/~fuwei/
> **************************************************************
>
>
>
>
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--
David.
________________________________________________________________________
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
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