AMBER Archive (2004)

Subject: Re: AMBER: amber7 test on osx

From: Michael Crowley (crowley_at_scripps.edu)
Date: Fri Oct 29 2004 - 13:31:09 CDT


Dear Knut,

I have had success with osx and xlf compilers.

please send a copy of the mdout.dmp that you got in the dmp directory and
verify that it was created when you ran the test (using ls -l).

You should not need the XLF_RTOPTS anymore, try unsetting that env. var.

There are still a couple of tests that do not adhere to the f90 standard
for namelists, but first get past the dmp test before worrying about
those. THey will require you to edit the Run.* or mdin files to change
&end to /

Mike

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Physical mail: Dr. Michael F. Crowley
                 Department of Molecular Biology, TPC6
                 The Scripps Research Institute
                 10550 North Torrey Pines Road
                 La Jolla, California 92037

Electronic mail: crowley_at_scripps.edu
Telephone: 858/784-9290
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On Fri, 29 Oct 2004, Knut Langsetmo wrote:

> hi,
>
> i have compiled amber 7 on a mac g5 running osx 10.3 with the ibm xlc
> and xlf,
> and after using "setenv XLFRTEOPTS "namelist=old:xrf_messages=no""
> give the command "make test.sander" in the test directory. i get the
> following error:
>
> cd dmp; ./Run.dmp
> Program error
> make: *** [test.sander] Error 1
>
> however, if i go to the dmp directory and give the command "../dacdif
> mdout.dmp.save mdout"
> i get the answer:
>
> PASSED
>
> can anyone give me any suggestions as to what the problem is, and how
> to get past the tests.
>
> thanks,
> --knut
>
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