Hi Dave,
I applied amber6 bugfix.4 and the LES_CUT test ran fine. However, I am now
stuck at 2 points in the CMC module of test.sander (immediately after
LES_CUT).
(1) cd lj_lj/test; ./run (under "test: setup" of /CMC/Makefile)
When I ran "cd lj_lj/test; ./run" on 2 processors I got the following output:
----------------------INSERT----------------------
b run1_b_300
Error in setpar: check code, input
--------------------------------------------------
The same test passed on 1 processor.
(2) single: setup (in CMC/Makefile)
cd ala/single; ./run
(all subsequent commands under "single")
When I ran this on 1, 2 and 4 processors I got the following output:
-----------------------INSERT----------------------
v single_v
mpirun must be used to launch all MPI applications
mpirun must be used to launch all MPI applications
v single_v_pme
mpirun must be used to launch all MPI applications
mpirun must be used to launch all MPI applications
b single_b
mpirun must be used to launch all MPI applications
mpirun must be used to launch all MPI applications
b single_b_pme
mpirun must be used to launch all MPI applications
mpirun must be used to launch all MPI applications
w single_w
mpirun must be used to launch all MPI applications
mpirun must be used to launch all MPI applications
w single_w_pme
mpirun must be used to launch all MPI applications
mpirun must be used to launch all MPI applications
-----------------------------------------------------
Thanks,
Marios
David Case wrote:
> On Tue, Feb 15, 2000, Marios Philippopoulos wrote:
> >
> > The unsuccessful tests with MPI were:
> >
> > LES_CUT
>
> Sorry I spaced out in my earlier message. The fact that this test
> fails is actually a bug in the script that runs it: the DO_PARALLEL
> construct is missing.
>
> You can check amber6 bugfix.4 on the Amber Web page for a fix.
>
> Thanks for your reports. We'll look into the other problems you mentioned.
>
> ...dave case
>
> --
>
> ==================================================================
> David A. Case | e-mail: case_at_scripps.edu
> Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
> The Scripps Research Institute | phone: +1-858-784-9768
> 10550 N. Torrey Pines Rd. | WWW:
> La Jolla CA 92037 USA | http://www.scripps.edu/case
> ==================================================================
--
Marios Philippopoulos, PhD
Structural Biology and Biochemistry Programme
Hospital for Sick Children
555 University Avenue
Toronto Ontario Canada M5G 1X8
mphilip_at_sickkids.on.ca
Received on Wed Feb 16 2000 - 14:10:26 PST
