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-- Ray Luo, Ph.D. Professor of Structural Biology/Biochemistry/Biophysics, Chemical Physics, Biomedical Engineering, and Chemical Engineering Department of Molecular Biology and Biochemistry University of California, Irvine, CA 92697-3900 On Mon, Mar 19, 2018 at 12:18 PM, Ray Luo <rluo.uci.edu> wrote: > Hi Dave, > > I will take a look of No. 2 on my iMac ... > > Ray > -- > Ray Luo, Ph.D. > Professor of Structural Biology/Biochemistry/Biophysics, > Chemical Physics, Biomedical Engineering, and Chemical Engineering > Department of Molecular Biology and Biochemistry > University of California, Irvine, CA 92697-3900 > > > On Mon, Mar 19, 2018 at 6:31 AM, David A Case <david.case.rutgers.edu> wrote: >> Hi everyone: >> >> We need volunteers to address the following issues. If you are willing/able >> to help out, please reply to the list, to avoid duplication of effort. >> >> 1. If --skip-python is selected at configure time, the test suite still >> tries to run python-related tests. (Tests need to consult config.h >> to see if python has been disabled.) >> >> 2. MacOS specific: the mmpbsa_py/07_Comprehensive test fails (serial >> mode). This is actually a long-standing problem. Someone needs to run >> the test by hand, saving intermediate outputs, and try to isolate what >> is going on. There may be one frame that is handled badly, or simply >> something odd in how results are accumulated. Doesn't depend on which >> version of gnu compilers is used, but never seems to show up on Linux. >> >> 3. Many pmemdTI CPU tests are failing in parallel (both Linux and Mac). >> There is an issue where (for softcore) the save file looks correct but >> the current output is printing zero for the temperature. Other examples >> look like more than just roundoff errors. >> >> 4. We are getting segfaults in sander ips tests, especially in parallel. >> I'll contact Xiongwu about this, but it would help if someone could >> compile with -debug set, fire up a debugger (do the serial version >> first), and provide better location info for the segfault. >> >> Note that item 3 above is crucial: we need to have TI working in pmemd! >> >> ...thanks!....dac >> >> >> _______________________________________________ >> AMBER-Developers mailing list >> AMBER-Developers.ambermd.org >> http://lists.ambermd.org/mailman/listinfo/amber-developers _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Mon Mar 19 2018 - 16:00:02 PDT