Dear AMBER
Thanks for your help.
by commeting the lines, I found other errors in each of the following commands:
cd rdc && ./Run.dip
cd noesy && ./Run.noesy
cd jar && ./Run.jar
Also, I found there is no errors in QMMM serial.
But during Parralel test, it stopped in PheMTI and most of the next commands, giving that:
This test must be run in parallel
make: *** [test.sander.TI] Error 1
I have installed lamsource (implemeted in AMBER), using the following commands:
cd $AMBERHOME/src
make clean
./configure_amber -lamsource pgf90
./configure_lam
make parallel
cd $AMBERHOME/test
set DO_PARALLEL ’mpirun -np 4’
make test.parallel.MM < /dev/null
So, could you help me please to figure out what the problem is?
TEST_FAILURES.diff is attached.
Thanks in advance
S. Bill
--- On Mon, 1/2/10, case <case.biomaps.rutgers.edu> wrote:
From: case <case.biomaps.rutgers.edu>
Subject: Re: [AMBER] Test log
To: "AMBER Mailing List" <amber.ambermd.org>
Date: Monday, 1 February, 2010, 18:49
On Mon, Feb 01, 2010, s. Bill wrote:
> During make test, I got the following error:
>
> possible FAILURE: check mdout.tip5p.dif
> /scratch/slater/mbdxhmi2/MyPrograms/amber10/test/tip5p
> 180,181d179
> < EKCMT = 0.2952 VIRIAL = 9.6699 VOLUME = 0.0001
> < Density = 0.
> ---------------------------------------
>
> and test has been stopped.
You can ignore the above diff. Note that the test stopped at a later point
(look at your Test.log file). You will need to examine the output of the
rdc test that failed.
You might want to just comment out the test that is failing in the Makefile,
and re-run the test suite to see if there are other failures.
....dac
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Received on Mon Feb 01 2010 - 13:00:02 PST
