On Fri, Nov 13, 2009 at 10:19:49AM -0800, Ray Luo, Ph.D. wrote:
> This is fine with us ... all major updates have been committed in pbsa as
> planned. Only bug-fixing efforts are going on. MJ needs to make sure both
> source and test cases get updated when committing into the cvs tree.
Indeed, as Ray said, PBSA in AmberTools will be in bug fixing mode. I
just checked-in the latest test cases for PBSA. In the meantime, here
are some known issue for PBSA:
Mac OS X 10.6.2 (x86_64)
gcc 4.2.1 + gfortran 4.5.0: PASSED all
gcc 4.5.0 + gfortran 4.5.0: CRASHED
Mac OS X 10.5.8 (ia32)
gcc 4.0.1 + gfortran 4.5.0: PASSED all
gcc 4.5.0 + gfortran 4.5.0: PASSED all
RHEL 5 (x86_64)
gcc 4.1.2 + gfortran 4.1.2: FAILED on pbsa_frc/dbf_1/polyALA
pbsa_frc/dbf_1/polyAT
RHEL 4 (ia32)
gcc 4.1.2 + gfortran 4.1.2: CRASHED
pgcc 8.0-4 + pgf90 pgf90 8.0-4: CRASHED only on pbsa_frc and pbsa_ipb2
Fedora 9 (ia32)
gcc 4.3.0 + gfortran 4.3.0: CRASHED
Fedora 8 (x86_64)
gcc 4.1.2 + gfortran 4.1.2: FAILED on pbsa_frc/dbf_1/polyALA
pbsa_frc/dbf_1/polyAT
Thanks,
--
Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
University of California Irvine.
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Received on Fri Nov 13 2009 - 23:30:03 PST
