[gmx-users] Problems using mdrun_d

Arneh Babakhani ababakha at mccammon.ucsd.edu
Wed Sep 5 23:43:16 CEST 2007


Hi,

I've compiled a mpi double-precision version of mdrun_d.  I'm trying to 
use it, but I get the following error.  Any ideas what the 'symbol 
lookup error' is? 

----------------------

[ababakha at chemcca50 Window-1]$ mpirun -np 4 mdrun_d -np 4 -s 
UmbrellaMD.tpr -o UmbrellaMD -c AfterUmbrellaMD -e UmbrellaMD -g 
UmbrellaMD -pi Window-$number.ppa -pn ../CommonFiles/Pull.ndx
. . .
Reading file UmbrellaMD.tpr, VERSION 3.3.1 (double precision)
mdrun_d: symbol lookup error: mdrun_d: undefined symbol: _intel_fast_memset
-----------------------------------------------------------------------------
One of the processes started by mpirun has exited with a nonzero exit
code.  This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

PID 10814 failed on node n0 (127.0.0.1) with exit status 127.
-----------------------------------------------------------------------------
[ababakha at chemcca50 Window-1]$ which mdrun_d



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