[gmx-users] Problems using mdrun_d

[Mark Abraham]

Arneh Babakhani wrote:
> 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.
> ----------------------------------------------------------------------------- 

Something's wrong with your linking.

Mark