Even though I now have CVS access, I don't feel qualified to fix this myself (except maybe to add some documentation).
Some parallel tests require np=2, some require np>2, at least one requires np=1. But, these skipped tests don't show up in "TEST_FAILURES" and aren't documented. So, unless the user runs the stdout from the tests into a file and checks it (like I do), they never know. I think this could be fixed with some documentation and perhaps a segregation of parallel tests (make test.parallel.np2, etc.). If there is documentation, I didn't find it in the places I expected it.
Examples follow:
When I run the parallel tests with np=4, I get complaints on some tests like this:
==============================================================
cd tgtmd/change_target.ntr && ./Run.tgtmd
SANDER: Targeted MD with changing target and restraints
DO_PARALLEL set to mpirun -np 4
too many processors for this test, exiting (Max = 2)
============================================================
...but if I set np=2, I get (again, for example):
==============================================================
make[1]: Leaving directory `/programs/amber11_20100216/test'
cd neb/neb_gb && ./Run.neb_classical
This test case requires a least 8 mpi threads.
The number of mpi threads must also be a multiple of 8 and not more than 24.
Not running test, exiting.....
cd neb/neb_gb_large_system && ./Run.neb_ls_classical
This test case requires a least 32 mpi threads.
The number of mpi threads must also be a multiple of 32 and not more than 128.
Not running test, exiting.....
cd ncsu && ./run-parallel.sh
>>>>>>> doing 'abmd_ANALYSIS'
diffing save/mdout with mdout
PASSED
==============================================================
And there's this one:
==============================================================
Perturb to nothing test
This test needs to be run by hand, using sander.MPI on 1 CPU
==============================================================
:-) Lachele
--
B. Lachele Foley, PhD '92,'02
Assistant Research Scientist
Complex Carbohydrate Research Center, UGA
706-542-0263
lfoley.ccrc.uga.edu
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Received on Thu Feb 18 2010 - 09:00:03 PST
