While this will probably work, a word of caution. In some recent linux versions LD_LIBRARY_PATH is not exported when you run a job using the "at" command, so this may not work in all cases. The "best" solution is probably to ensure that the ifort/mkl libraries are appropriately added. Some options: 1) Do it via /etc/ld.so.conf.d (look at man ldconfig) 2) Compile with -static, works fine for the latest ifort 3) Add something like "source /opt/intel/mkl/10.0.3.020/tools/environment/mklvars32.csh " to your .cshrc, and in $WIENROOT/parallel_options and similar versions in .bashrc.
On Thu, Jul 17, 2008 at 4:42 AM, Javad hashemifar <jhashemifar at gmail.com> wrote: > a possible solution: > please run the following command in the terminal: > > set LD_LIBRARY_PATH=$LD_LIBRARY_PATH:"here write the path where you have > installed libraries" > > and then run > x lapw2 -qtl > > if it works then add the first command to your login shell (.cshrc or > .bashrc or .tcshrc) > > S.J. Hashemifar > > On Thu, Jul 17, 2008 at 10:58 AM, Oleg Artamonov <arto at mail.nnz.ru> wrote: >> >> Dear Wien2k team leaders, >> >> May I ask you to update the executable version of the Wien2k for >> downloading, especially I need the new QTL version. >> The reason for this, that I still have problems with Wien2k compilation >> and >> work temporary with executable version. >> I tried to compile QTL separately, but again got the error message: >> qtl: error while loading shared libraries: libmkl_lapack.so: cannot open >> shared object file: >> No such file or directory. I have found the recent discussion about this >> subject and I shall try to compile. >> >> Thank you in advance, >> Oleg. >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > -- > ====================================== > Seyed Javad Hashemifar, Ph.D. > current address: > Physics Department, University of Duisburg-Essen, > 47057 Duisburg, Germany > Tel:+49 203 379 4743 Fax:+49 203 379 4742 > permanent address: > Physics Department, Isfahan University of Technology > 84154 Isfahan, Iran > Tel: +98 311 391 2375 Fax:+98 311 3912376 > --------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Commission on Electron Diffraction of IUCR www.numis.northwestern.edu/IUCR_CED