[Wien] HI
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 wrote: From: Peter Blaha Subject: Re: [Wien] HI To: "A Mailing list for WIEN2k users" 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 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110215/de2fa2ff/attachment.htm>
[Wien] HI
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 ? 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 -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110215/91c41008/attachment.htm> -- next part -- An embedded and charset-unspecified text was scrubbed... Name: OPTIONS URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110215/91c41008/attachment.bat> -- next part -- An embedded and charset-unspecified text was scrubbed... Name: compile.txt URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110215/91c41008/attachment.txt>
[Wien] HI
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