AMBER Archive (2009)

Subject: [AMBER] amber test fails with ICC 11.0.081

From: Raj (gpeletters_at_gmail.com)
Date: Mon Aug 17 2009 - 09:57:57 CDT

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
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