I recommend searching the archive on the amber web site for 'tip5p
failure'. see if the discussions there resolve your problem.
On 8/17/09, Raj <gpeletters.gmail.com> wrote:
> Dear Sir/Madam,
>
> I am trying to build amber 10 using ICC 11.0.081 on SLES 10 SP2 and the
> test fails with info given at the end of the mail.
> *Please let me know if you have any recommendations to resolve this issue*
>
> Steps that is followed are as follows:
>
> To build:
> In amber10/src do following
>
> 1. For amber tools ./configure_at gcc
> 2. For amber tools make -f Makefile_at
> 3. source /opt/intel/bin/ifortvars.sh
> 4. ./configure_amber ifort
> 5. make -f Makefile_at
> 6. make serial
>
> To test in amber10/test
>
> 1. make test
>
> Failures from test are as follows, please let me know if you have some
> recommendations to resolve this issue
> possible FAILURE: check mdout.tip5p.dif
> /amber10/test/tip5p
> 180,181d179
> < EKCMT = 0.2952 VIRIAL = 9.6699 VOLUME =
> 0.0001
> <
>
> Thanks,
> Raj
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
===================================================================
Carlos L. Simmerling, Ph.D.
Professor, Department of Chemistry
CMM Bldg, Room G80 Phone: (631) 632-1336 Fax: 632-1555
Stony Brook University E-mail: carlos.simmerling.gmail.com
Stony Brook, NY 11794-5115 Web: http://comp.chem.sunysb.edu
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Received on Wed Aug 19 2009 - 23:18:40 PDT
