<DIV>
<DIV>I do not think that changing the extension of all the wien2k programs is the best idea: I personally prefer to change the compiler from l_fc_pu_8.1.021 to intel_fc_80 or 8.1 if necessary (I do not know if *_fc and *_fc_pu are different).</DIV>
<DIV> </DIV>
<DIV>Did you look into siteconfig_lapw to see if the path of your mkl is correct: this is not needed employing wien2k_05.</DIV>
<DIV> </DIV>
<DIV>Some suggestions that you would consider:</DIV>
<DIV>1) see FAQ of wien2k</DIV>
<DIV>2) use the new version of WIEN2K_05 and specify "J Linux (Intel ifort 8.1 compiler + mkl 7.0 )" as your system if you are using intel_fc_80 or newer version.</DIV>
<DIV>3) report back to the group if the problem is not fixed.</DIV>
<DIV> </DIV>
<DIV>Your,</DIV>
<DIV>Saeid.<BR><BR><B><I>Gurpreet Singh <gurpreetsingh147@rediffmail.com></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Dear Sir,<BR><BR>We have just started using Wien2k_04 at our institute. We had a<BR>fortran 90 compiler already installed on our DEC Alpha machine <BR>so<BR>we had no problem compiling it there.<BR><BR>However when we tried to compile it on our Linux PCs (Redhat <BR>9.0)using the INTEL fortran 90 (l_fc_pu_8.1.021) compiler, it <BR>gives problems<BR>which are as follows:<BR><BR>Fortran programs (trial ones written by us) with .f90 extensions<BR>compile perfectly with the intel compiler, however programs with <BR>a<BR>.f extension fail to compile giving a message as "missing <BR>library<BR>libimf.so- unable to open shared object".<BR><BR>When we tried to compile Wien with this fortran compiler, it <BR>gave<BR>some warnings but no errors.<BR><BR>However when we try to run Wien, it is unable to find lapw1. On<BR>subsequent compilations of Wien , it was unable to complete
the<BR>initialization also.<BR><BR>We suspect that this is because fortran is not compiling all the<BR>programmes of Wien because of the .f extension.<BR><BR>The question is if I change all the extensions of the fortran<BR>programmes in the Wien subdirectories to .f90, will it compile<BR>correctly ?<BR><BR>The mkl library installed is mkl72. All directories of Wien are<BR>present in the right place. Perl is installed and running w2web<BR>(somehow it does not ask for the password).<BR><BR>The patch posted on the Wien2k site for Redhat 9.0 compatibility <BR>with Intel Fortran does not work for us. We still got the same <BR>error.<BR><BR>Thanking you in anticipation,<BR>regards<BR>Gurpreet Singh<BR>c/o Dr S Ganapathy<BR>NMR Group,<BR>National Chemical Lab<BR>Pune, India<BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR></BLOCKQUOTE></DIV><p>
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