On 04/02/2012 12:59 PM, Jason Swails wrote:
>
> 2) rem_hybrid has problems with three threads.
> That's because it doesn't run with 3 threads. It requires a multiple of
> 2 threads, but this is surprisingly hard to test for (without explicitly
> doing an "if == 2, 4, 6, 8, ... etc) in csh (or bash for that matter).
>
> Parallel compilation dumps a program "numprocs" into the test
> directories that will just print out the comm_world size, but it could
> be modified to take command-line flags and spit out errors when illegal
> processor counts are detected... Too late for this release, though.
>
> Should we be worried about the fact that the rem_hybrid test fails when
> we run with an odd number of threads? I feel like 3 is a strange number
> to test with, and it's unlikely many people will try.
>
Three is an unusual number, which is part of why I tried it.
Most parallel tests do check the number of processes. If the problem is
even numbers then I think something like this should do the trick.
numprocs=`echo $DO_PARALLEL | awk -f ../numprocs.awk `
odd=`echo $numprocs | awk '{printf "%d\n", $NF %= 2}'`
if [ "$odd" -eq "1" ]; then
skip test
fi
>> 3) the fibre-diffraction module has problems with 10 threads when built
>> with GNU and PGI.
>>
>> 4) MMPBSA_PY fails with PGI on two threads.
> But from what I saw, just test 06 (Nmode), right? This is the same
> issue that was brought up before, and I claim it's not MMPBSA.py's
> fault, nor is it something we should worry about (I know there's not
> universal agreement on that last part, but the low-frequency modes of
> such silly systems are _very_ unstable and can significantly impact
> results -- but that's for post-release conversation/investigation, if I
> recall correctly).
No. It was all of the tests. From the file
mmpbsa_py/01_Generalized_Born/mmpbsa.out I'm getting
Fatal Error: I could not find the Python MPI package (mpi4py)! This
means that
it could not be built during the standard AmberTools
installation.
Check $AMBERHOME/src/AmberTools/mpi4py_install.log for errors.
Fatal Error: I could not find the Python MPI package (mpi4py)! This
means that
it could not be built during the standard AmberTools
installation.
Check $AMBERHOME/src/AmberTools/mpi4py_install.log for errors.
--------------------------------------------------------------------------
orterun noticed that the job aborted, but has no info as to the process
that caused that situation.
--------------------------------------------------------------------------
Tyler
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Received on Mon Apr 02 2012 - 12:00:04 PDT
