[AMBER] tests with different # of threads

From: Vaibhav Dixit <vaibhavadixit.gmail.com>
Date: Wed, 3 Apr 2019 15:56:04 +0530

Dear AMBER developers and users,
I recently installed mpi version with " ./configure -mpi gnu" and the "make
test" gives the following (truncated output below, file is attached).
It specifically alerts about using 2 threads for some test and 4 for others.
Is it possible to quickly identify, run another make test for 2 thread jobs
without rerunning the 4 thread ones?
The log and diff files only suggest about possible failures, thus how do I
identify/rerun the 14/66 that failed and 138/45 that showed errors.
Also is it possible to guess which type of analysis or sander.MPI jobs are
likely to be affected.
Thanks for suggestions.

 Not running test, exiting.....
make[2]: Leaving directory '/home/pharmacy/amber18/test'
make[2]: Entering directory '/home/pharmacy/amber18/test'
Skipping pmemd.gem.MPI tests
make[2]: Leaving directory '/home/pharmacy/amber18/test'
make[2]: Entering directory '/home/pharmacy/amber18/test'

Finished parallel test suite for Amber 18 at Tue Apr 2 22:03:21 IST 2019.
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 /home/pharmacy/amber18/test/README.

make[2]: Leaving directory '/home/pharmacy/amber18/test'
0 file comparisons passed
14 file comparisons failed
138 tests experienced an error
Test log file saved as
Test diffs file saved as
make[1]: Leaving directory '/home/pharmacy/amber18/test'

Summary of AmberTools parallel tests:

924 file comparisons passed
66 file comparisons failed
45 tests experienced errors
Test log file saved as
Test diffs file saved as

Dr. Vaibhav A. Dixit,
Assistant Professor,
Department of Pharmacy,
Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031
Phone No. +91 1596 255652, Mob. No. +91-7709129400,
Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
ORCID ID: https://orcid.org/0000-0003-4015-2941
P Please consider the environment before printing this e-mail

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Received on Wed Apr 03 2019 - 03:30:02 PDT
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