Hi everybody,
Having installed AmberTools1.5 and Amber11 in parallel, I tried to run mmpbsa.py. I don't see in the bin directory a MMPBSA.py.MPI as in AmberTools1.4v.
I run the tests of both serial and parallel installations (see below). So where's MMPBSA.py.MPI????
Thanks in advance
George
Finished serial test suite for Amber 11 at Wed Sep 28 20:46:28 CEST 2011.
363 file comparisons passed
15 file comparisons failed
4 tests experienced errors
Test log file saved as logs/test_amber_serial/2011-09-28_20-19-31.log
Test diffs file saved as logs/test_amber_serial/2011-09-28_20-19-31.diff
Finished parallel test suite for Amber 11 at Wed Sep 28 23:30:44 CEST 2011.
Some tests require 4 threads to run, while some will not
run with more than 2. Please run further parallel tests with the
appropriate number of processors. See README for details.
296 file comparisons passed
0 file comparisons failed
4 tests experienced errors
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Received on Thu Sep 29 2011 - 07:00:03 PDT
