[AMBER] PMEMD terminated abnormally!

From: Ashutosh Shandilya <izerokelvin.gmail.com>
Date: Mon, 18 Oct 2010 12:42:11 +0530

Hi all
I am trying to run simulation on Tesla C2070 cuda machines (Amber11).I gives
the output as STOP PMEMD terminated abnormally! and the out file says could
not read velocities from crd file.
My input file is
&cntrl
 imin = 0,
 irest = 1,
 ntx=5,
 ntb=2,
 ntp = 1,
 taup=2.0,
 cut = 10,
 ntc = 2,
 ntf = 2,
 tempi = 300,
 temp0 = 300,
 ntt = 3,
 gamma_ln = 1.0,
 nstlim =10000000, dt = 0.001,
 ntpr =10000, ntwx = 10000, ntwr = 10000
/
Kindly have a look.
regards
Shandilya Ashutosh
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 18 2010 - 00:30:03 PDT
Custom Search