AMBER Archive (2009)

Subject: [AMBER] (no subject)

From: Collins Nganou (nganoucollins_at_gmail.com)
Date: Thu Apr 30 2009 - 14:34:36 CDT

Dear Amber users,

  After doing some investigation, I discover that the variable DO_PARALLEL
is not recognised by Amber10.
The variable was properly declared in my bashrc file as follow : alias
DO_PARALLEL='mpirun -np 4'
I also set the alias directly in the shell as follow : alias
DO_PARALLEL='mpirun -np 4'
The alias Command confirm that the variable was correctly set at the shell
environment

ps: I am using ubuntu 8.10
                         openmpi-1.3.1

Below are some error output..

make[1]: Leaving directory `/opt/amber10/test'
cd rem_gb_2rep && ./Run.rem
REM requires a parallel environment; skipping this test
cd rem_gb_4rep && ./Run.rem
REM requires a parallel environment; skipping this test
cd rem_wat && ./Run.rem
REM requires a parallel environment; skipping this test
cd rem_hybrid && ./Run.rem
REM requires a parallel environment; skipping this test
cd sodium && ./Run.sodium
 TI can only be run parallel: set env var DO_PARALLEL
 Not running test, exiting.....
cd pheMTI && ./Run.0
diffing out.0.save with out.0
PASSED
==============================================================
cd pheMTI && ./Run.1
diffing out.1.save with out.1
PASSED
==============================================================
cd pheMTI && ./Run.lambda0
This test must be run in parallel
make: *** [test.sander.TI] Error 1

Thanks for the help...

Yours faithfully

Collins
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