[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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