AMBER Archive (2001)

Subject: Test run for gb_rna on AMBER6 (IBM SP3)

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Thu Apr 19 2001 - 14:54:57 CDT

Hello,
        While running tests on gb_rna manually on IBM SP3 (AMBER6) the
error shown in below (in PS) cropped up and the process stopped. With the
same settings I could successfully run DHFR test. Both times I used only
'benchmark' shell script explicitly. The i/p is modified for SP3 as
follows:
----------------------gbin---------------------------
 test of gen. Born, on a stretch of A-RNA
 &cntrl
   nstlim=100, cut=99.0, scee=1.2, igb=1, saltcon=0.1,
   ntpr=5, ntwr=100000, ntt=0,
   ntx=5, irest=1,
   ntc=2, ntf=2, tol=0.000001,
   dt=0.001, ntb=0,
 /
------------------------------------------------------
Thanking you in advance,
-Sanjeev

PS: Error shown (MP_PROCS=4)
1587-113 SMP runtime library error. Could not create a new thread.
1587-113 SMP runtime library error. Could not create a new thread.
1587-113 SMP runtime library error. Could not create a new thread.
1587-113 SMP runtime library error. Could not create a new thread.
ERROR: 0032-184 MPI was not finalized in routine unknown, task 2
ERROR: 0032-184 MPI was not finalized in routine unknown, task 1
ERROR: 0032-184 MPI was not finalized in routine unknown, task 3
ERROR: 0032-184 MPI was not finalized in routine unknown, task 0