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<DIV>Dear Dr Blaha,</DIV>
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<DIV>Thanks for your immediate response. We will try to run as suggested by you </DIV>
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<DIV>If there is a difficulty I will contact you</DIV>
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<DIV>Regards and greetings</DIV>
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<DIV>Rajagopalan<BR><BR></DIV>
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<DIV><FONT color=#ff0000 size=4>Dr.M.Rajagopalan </FONT></DIV>
<DIV><FONT color=#ff0000 size=4>Emeritus Scientist ( CSIR )</FONT></DIV>
<DIV><FONT color=#ff0000 size=4>Crystal Growth Centre</FONT></DIV>
<DIV><FONT color=#ff0000 size=4>Anna University</FONT></DIV>
<DIV><FONT color=#ff0000 size=4>Chennai 600 025, India</FONT></DIV>
<DIV><FONT color=#ff0000 size=4>Phone + 091- 44- 22213023 (R)</FONT></DIV>
<DIV><FONT color=#ff0000 size=4> + 091 -44- 22359208 (O)</FONT></DIV>
<DIV><FONT color=#ff0000 size=4>Cell 9790714283</FONT></DIV></DIV></DIV><BR><BR>--- On <B>Tue, 15/2/11, Peter Blaha <I><pblaha@theochem.tuwien.ac.at></I></B> wrote:<BR>
<BLOCKQUOTE style="BORDER-LEFT: rgb(16,16,255) 2px solid; PADDING-LEFT: 5px; MARGIN-LEFT: 5px"><BR>From: Peter Blaha <pblaha@theochem.tuwien.ac.at><BR>Subject: Re: [Wien] HI<BR>To: "A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at><BR>Date: Tuesday, 15 February, 2011, 1:11 PM<BR><BR>
<DIV class=yiv1218638761plainMail>Look into your output. You see a "gfortran" ....<BR>Your mpi was installed with the gfortran instead of the ifort compiler.<BR><BR>PS: With your hardware, I do not think that the mpi-version is of much <BR>use. WIEN2k has a k-parallel mode, where you can use all your processors <BR>without mpi.<BR><BR>Am 15.02.2011 08:09, schrieb Rajagopalan Mathrubutham:<BR>> Dear Dr .Blaha,<BR>> Greeting from Rajagopalan Chennai India I have a qurrey We have<BR>> purchased a quad core machine with the following configuration<BR>> 43GT Intel mother board<BR>> CPU 2.63 GHz<BR>> Ram 8 GB<BR>> Hard disk drive 500GB<BR>> The OS is SUSE 11.1<BR>> We also installed ifort9.0 compiler and mkl 8.1.1<BR>> We were able to compile and run WIEN2K without any problem<BR>> We wanted to incorporate paralle processing also in the machine<BR>> We downloaded FFTW2.1.5 and MPI (INTEL)<BR>> I am
attaching the compiler OPTIONS and the error we are getting as an<BR>> example in SRC_lapw2<BR>> Kindly suggest what to do and how to rectify<BR>> Regards and greetings<BR>> Rajagopalanof the<BR>><BR>><BR>> Dr.M.Rajagopalan<BR>> Emeritus Scientist ( CSIR )<BR>> Crystal Growth Centre<BR>> Anna University<BR>> Chennai 600 025, India<BR>> Phone + 091- 44- 22213023 (R)<BR>> + 091 -44- 22359208 (O)<BR>> Cell 9790714283<BR>><BR>><BR>><BR>><BR>> _______________________________________________<BR>> Wien mailing list<BR>> <A href="http://in.mc1374.mail.yahoo.com/mc/compose?to=Wien@zeus.theochem.tuwien.ac.at" rel=nofollow target=_blank>Wien@zeus.theochem.tuwien.ac.at</A><BR>> <A href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel=nofollow target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR><BR>-- <BR>Peter Blaha<BR>Inst.Materials Chemistry<BR>TU
Vienna<BR>Getreidemarkt 9<BR>A-1060 Vienna<BR>Austria<BR>+43-1-5880115671<BR>_______________________________________________<BR>Wien mailing list<BR><A href="http://in.mc1374.mail.yahoo.com/mc/compose?to=Wien@zeus.theochem.tuwien.ac.at" rel=nofollow target=_blank>Wien@zeus.theochem.tuwien.ac.at</A><BR><A href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel=nofollow target=_blank>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</A><BR></DIV></BLOCKQUOTE></TD></TR></TBODY></TABLE></DIV></td></tr></table><br>