How to parrallel running for VASP in the IBM p690

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
mqcai

How to parrallel running for VASP in the IBM p690

#1 Post by mqcai » Fri Jan 13, 2006 5:55 pm

Dear everyone:
I have successful installed the vasp 4.6 in the IBN p690 with the makefile.rs6000, and I can run it with serial calculation.

I want to parrallel. I do not How to do?

PS: IBM p690 AIX system

Can you give me some suggestion?

Thank you in advance?
Last edited by mqcai on Fri Jan 13, 2006 5:55 pm, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

How to parrallel running for VASP in the IBM p690

#2 Post by admin » Mon Jan 16, 2006 10:35 am

for compilation with a parallel fortran compiler on IBM (mpxlf) please have a look at the makefile.sp2 file
Last edited by admin on Mon Jan 16, 2006 10:35 am, edited 1 time in total.

yanyan_1029

How to parrallel running for VASP in the IBM p690

#3 Post by yanyan_1029 » Wed Mar 29, 2006 9:41 am

I have met the same question on the same system. I change my makefile according to makefile.sp2. But I don't know which directory the file mpif.h lies in.
can you tell me?
Last edited by yanyan_1029 on Wed Mar 29, 2006 9:41 am, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

How to parrallel running for VASP in the IBM p690

#4 Post by admin » Tue Apr 11, 2006 12:53 pm

most probably, it is in the include subdirectory of your lam or mpich
installation
Last edited by admin on Tue Apr 11, 2006 12:53 pm, edited 1 time in total.

Post Reply