FYI:
The sebomd/DC/water32 test fails for me in serial and in parallel using pgi
13.4 compilers, mvapich 1.7. The serial test has significant diffs. The
parallel test hangs forever on the min.csh script, right after the first
step energy is printed.
Relevant files attached.
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Mar 20 2014 - 16:00:05 PDT
