From: Mooers, Blaine H.M. (HSC) <"Mooers,>
Date: Fri, 21 Apr 2017 19:36:27 +0000
I installed amber17tools and amber16 on a Mac OS X 10.10 with macports python 2.7.13
./configure -mpi -macAccelerate --with-python /opt/local/bin/python
make install
make test
All went well.
I then tried to redo the configuration for mpi parallel computing.
I got a warning about needing parallel netcdf, which is not in macports.
I installed parallel netcdf in /usr/local/bin and ran several sets of tests.
All went well.
After passing 731 file comparisons, the following message was printed and the program hung for several hours.
"""
Testing AMD with IPS
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on exactly when Open MPI kills them.
"""
I did control C and got the following message printed to the terminal.
"""
Finished test suite for AmberTools at Wed Apr 19 16:38:07 CDT 2017.
731 file comparisons passed
0 file comparisons failed
1 tests experienced errors
Test log file saved as /Users/blaine-mooers/software/Amber16/logs/test_at_parallel/2017-04-19_10-36-17.log
No test diffs to save!
make: *** [test.parallel] Interrupt: 2
"""
The log file is attached.
