Dear sir,
I am unable to install parallel version of amber11. The main problem are as
follows:
1. While configuring Parallelnetcdf, I am getting an error *(configure:
error: Cannot find MPI-IO library)*
2. I have included /home/username/amber11/bin, /home/username/amber11/lib
in the PATH.
3. I have installed openmpi1.6 version.
4. I have also tried to install by running ./configure -mpi gnu. But the
error is that parallelenetcdf is not configuring.
Can you please help me in solving the problem. Otherwise i could perform
free energy calculation
--
*With Regards,
**Devawati Dutta
MSc,MTech
Research Scholar
Cancer Biology and Inflammatory Diseases
**CSIR-**Indian Institute of Chemical Biology
Kolkata-32.*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 23 2012 - 02:30:02 PDT
