Re: [AMBER-Developers] Amber12 release candidate 2: rism hang

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Fri, 23 Mar 2012 15:27:02 -0400

Hi,

Red Hat 6.1, Intel 12.1.0, No MKL, x86_64, Only AmberTools serial 3/22/12 SRB
Configure command: ./configure intel

   486 file comparisons passed
   0 file comparisons failed
   0 tests experienced errors

   This test hangs:

if [ -n "testrism" ]; then cd ./rism1d/spc-kh && ./Run.spc; fi

  PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND
11547 scott 20 0 68068 38m 2040 R 100.0 0.2 642:08.85 rism1d

No other tester reports a hang; there are some differences
between other intel 12 platforms: mostly ubuntu vs redhat, or
minor version numbers of intel 12.
Also other wiki reports do not mention whether MKL was used,
so it probably was; mine did not.
Intel 11 and 12 support the compiler flag -mkl, so
on this new machine that is the expected approach to getting MKL.

There are 1444 warnings produced during compilation.
These mention rism:

14862:rism_util.F90(603): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [O_VARCOEF]
15151:rism1d_c.F90(1250): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [START]
15154:rism1d_c.F90(942): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [START]

scott


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Received on Fri Mar 23 2012 - 12:30:04 PDT
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