How to compile VASP in parallel mode in IBM-POWER5 (OS:-AIX)

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saurabh@iacs · #1 Post by **saurabh@iacs** » Thu Aug 09, 2007 10:15 am

Dear all,

We have a Power 5 Machine with the following specs.

Processor: total 6 (Dual Core)
Cpu : POWER5 (gs)
Clock : 2.2 GHz
RAM : 48 GB
OS : AIX
SMP Machine.

We have succesfully compiled VASP with the makefile, "makefile.rs6000" in serial mode. In this makefile there is no Parallel section. So how to compile VASP in parallel mode?

When we run a job in serial mode we guess it is going to a single processor, what we should do so that it will utilize all the processors.

With Regards,

Saurabh & Shubhodeep B)

#2 Post by **admin** » Tue Aug 14, 2007 1:04 pm

please have a check which parallel parsers are installed/supported on your machines, and for your compiler, and modify the makefile accordingly (have a look at eg the parallel section of the makefile.linux_ifc_P4 for the changes and adds which have to be made).