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