[gmx-users] Problems using mdrun_d

[Arneh Babakhani]

sure, here you go,

[ababakha at chemcca50 ~]$ ldd 
/u1/ababakha/gromacs-3.3.1_double_precision_mpi/bin/mdrun_d
        libnsl.so.1 => /lib/libnsl.so.1 (0x006e4000)
        libm.so.6 => /lib/tls/libm.so.6 (0x00ae3000)
        libXm.so.3 => /usr/X11R6/lib/libXm.so.3 (0x0020c000)
        libXt.so.6 => /usr/X11R6/lib/libXt.so.6 (0x00111000)
        libSM.so.6 => /usr/X11R6/lib/libSM.so.6 (0x00b1e000)
        libICE.so.6 => /usr/X11R6/lib/libICE.so.6 (0x00b32000)
        libXext.so.6 => /usr/X11R6/lib/libXext.so.6 (0x00b0e000)
        libXp.so.6 => /usr/X11R6/lib/libXp.so.6 (0x00443000)
        libX11.so.6 => /usr/X11R6/lib/libX11.so.6 (0x03237000)
        liblamf77mpi.so.0 => /usr/lib/lam/liblamf77mpi.so.0 (0x00540000)
        libmpi.so.0 => /usr/lib/lam/libmpi.so.0 (0x00b5f000)
        liblam.so.0 => /usr/lib/lam/liblam.so.0 (0x00162000)
        libaio.so.1 => /usr/lib/libaio.so.1 (0x009b1000)
        libutil.so.1 => /lib/libutil.so.1 (0x005f1000)
        libdl.so.2 => /lib/libdl.so.2 (0x00b08000)
        libpthread.so.0 => /lib/tls/libpthread.so.0 (0x00c25000)
        libc.so.6 => /lib/tls/libc.so.6 (0x009b5000)
        libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x00dc8000)
        /lib/ld-linux.so.2 (0x00997000)
        libXmu.so.6 => /usr/X11R6/lib/libXmu.so.6 (0x006ff000)
[ababakha at chemcca50 ~]$


Yang Ye wrote:
> this is mostly likely due to mismatched version between runtime 
> library and compile library. Could you run
> ldd full/path/to/mdrun_d
>
> and paste the output here for us to continue our help?
>
> On 9/6/2007 5:43 AM, 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-$number.ppa -pn ../CommonFiles/Pull.ndx
>> . . .
>> Reading file UmbrellaMD.tpr, VERSION 3.3.1 (double precision)
>> mdrun_d: symbol lookup error: mdrun_d: undefined symbol: 
>> _intel_fast_memset
>> ----------------------------------------------------------------------------- 
>>
>> One of the processes started by mpirun has exited with a nonzero exit
>> code.  This typically indicates that the process finished in error.
>> If your process did not finish in error, be sure to include a "return
>> 0" or "exit(0)" in your C code before exiting the application.
>>
>> PID 10814 failed on node n0 (127.0.0.1) with exit status 127.
>> ----------------------------------------------------------------------------- 
>>
>> [ababakha at chemcca50 Window-1]$ which mdrun_d
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