[Wien] HI

[Rajagopalan Mathrubutham]

Dear Dr Blaha,
 
Thanks for your immediate response. We will try to run as suggested by you 
 
If there is a difficulty I will contact you
 
Regards and greetings
 
Rajagopalan




Dr.M.Rajagopalan 
Emeritus  Scientist ( CSIR )
Crystal Growth Centre
Anna University
Chennai 600 025, India
Phone  + 091- 44- 22213023 (R)
            + 091 -44- 22359208 (O)
Cell 9790714283

--- On Tue, 15/2/11, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:


From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
Subject: Re: [Wien] HI
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Tuesday, 15 February, 2011, 1:11 PM


Look into your output. You see a   "gfortran" ....
Your mpi was installed with the gfortran instead of the ifort compiler.

PS: With your hardware, I do not think that the mpi-version is of much 
use. WIEN2k has a k-parallel mode, where you can use all your processors 
without mpi.

Am 15.02.2011 08:09, schrieb Rajagopalan Mathrubutham:
> Dear Dr .Blaha,
> Greeting from Rajagopalan Chennai India I have a qurrey We have
> purchased a quad core machine with the following configuration
> 43GT Intel mother board
> CPU 2.63 GHz
> Ram 8 GB
> Hard disk drive 500GB
> The OS is SUSE 11.1
> We also installed ifort9.0 compiler and mkl 8.1.1
> We were able to compile and run WIEN2K without any problem
> We wanted to incorporate paralle processing also in the machine
> We downloaded FFTW2.1.5 and MPI (INTEL)
> I am attaching the compiler OPTIONS and the error we are getting as an
> example in SRC_lapw2
> Kindly suggest what to do and how to rectify
> Regards and greetings
> Rajagopalanof the
>
>
> Dr.M.Rajagopalan
> Emeritus Scientist ( CSIR )
> Crystal Growth Centre
> Anna University
> Chennai 600 025, India
> Phone + 091- 44- 22213023 (R)
> + 091 -44- 22359208 (O)
> Cell 9790714283
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671
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