[Wien] error in calculation with wien2k
Thank sir for your help but i have already error when execute run_lapw: ?LAPW0 END ?forrtl: severe (71): integer divide by zero ? ?Stack trace terminated abnormally. ? ??? stop error ? BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 De?: farouk boutaiba boutaiba_f at yahoo.fr ??: wien at zeus.theochem.tuwien.ac.at wien at zeus.theochem.tuwien.ac.at Envoy? le : Dimanche 24 juin 2012 15h36 Objet?: error in calculation with wien2k Dear wien2k user; after instalation of wien2k code, I am getting following error while running x nn: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory 0.000u 0.000s 0:00.00 0.0%? 0+0k 0+0io 0pf+0w error: command?? /root/wien/nn nn.def?? failed I have following settings: Compiler: /opt/intel/fce/9.1.026/bin Options: current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O3 -axT current:FPOPT: current:LDFLAGS:$(FOPT) -L /opt/intel/mkl/9.1.023/lib/em64t -lguide -lpthread -L/lib64 current:DPARALLEL:'-DParallel' current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lpthread -pthread current:RP_LIBS: CPU Information Processor (CPU): Intel(R) Core(TM) i5-2400S CPU @ 2.50GHz Speed: 1,600.00 MHz Cores: 4 Total memory (RAM): 3.0 GiB system Information Linux 2.6.31.5-0.1-desktop x86_64 System: openSUSE 11.2 (x86_64) KDE: 4.3.1 (KDE 4.3.1) release 6 I appreciate any help. Thanks in advance ? BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120626/102586ad/attachment.htm
[Wien] error in calculation with wien2k
Try changing your options to: current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/9.1.023/lib/em64t -i-static -Bstatic -lguide -L/lib64 -Bdynamic -lpthread current:R_LIBS:-Bstatic -lmkl_lapack -lmkl_em64t -lguide -pthread -Bdynamic -lpthread Since your ifort/mkl is an old version, the -static should have linked lpthread statically when it may have needed to be linked dynamically (like above). This is due to a known issue with some versions of Linux described in the 9.1 release notes: http://www.ualberta.ca/AICT/RESEARCH/LinuxClusters/doc/ifc91/Release_Notes.htm There is also the possibility that the 9.1 ifort/mkl versions will not work on your system. As mentioned in the 9.1 release notes (under System Requirements), SUSE LINUX 9 was supported by Intel. However, your OpenSUSE 11.2 is a few versions ahead of this (see versions table: http://en.wikipedia.org/wiki/SUSE_Linux). So you may need to update your fortran compiler. On 6/26/2012 4:54 AM, farouk boutaiba wrote: Thank sir for your help but i have already error when execute run_lapw: LAPW0 END forrtl: severe (71): integer divide by zero Stack trace terminated abnormally. stop error BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 *De :* farouk boutaiba boutaiba_f at yahoo.fr *? :* wien at zeus.theochem.tuwien.ac.at wien at zeus.theochem.tuwien.ac.at *Envoy? le :* Dimanche 24 juin 2012 15h36 *Objet :* error in calculation with wien2k Dear wien2k user; after instalation of wien2k code, I am getting following error while running x nn: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /root/wien/nn nn.def failed I have following settings:// Compiler: /opt/intel/fce/9.1.026/bin Options: current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O3 -axT current:FPOPT: current:LDFLAGS:$(FOPT) -L /opt/intel/mkl/9.1.023/lib/em64t -lguide -lpthread -L/lib64 current:DPARALLEL:'-DParallel' current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lpthread -pthread current:RP_LIBS: // CPU Information Processor (CPU): Intel(R) Core(TM) i5-2400S CPU @ 2.50GHz Speed: 1,600.00 MHz Cores: 4 Total memory (RAM): 3.0 GiB system Information Linux 2.6.31.5-0.1-desktop x86_64 System: openSUSE 11.2 (x86_64) KDE: 4.3.1 (KDE 4.3.1) release 6 // // I appreciate any help. Thanks in advance BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120626/0eb21a60/attachment.htm
[Wien] error in calculation with wien2k
Most probably you may need -L/opt/intel/mkl/9.1.023/lib/em64t also at beginn of the R_LIBS line Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: I think the problem, to be quite honest with you, is that you have never actually known what the question is. Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Gavin Abo [gsabo at crimson.ua.edu] Gesendet: Dienstag, 26. Juni 2012 15:35 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] error in calculation with wien2k Try changing your options to: current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/9.1.023/lib/em64t -i-static -Bstatic -lguide -L/lib64 -Bdynamic -lpthread current:R_LIBS:-Bstatic -lmkl_lapack -lmkl_em64t -lguide -pthread -Bdynamic -lpthread Since your ifort/mkl is an old version, the -static should have linked lpthread statically when it may have needed to be linked dynamically (like above). This is due to a known issue with some versions of Linux described in the 9.1 release notes: http://www.ualberta.ca/AICT/RESEARCH/LinuxClusters/doc/ifc91/Release_Notes.htm There is also the possibility that the 9.1 ifort/mkl versions will not work on your system. As mentioned in the 9.1 release notes (under System Requirements), SUSE LINUX 9 was supported by Intel. However, your OpenSUSE 11.2 is a few versions ahead of this (see versions table: http://en.wikipedia.org/wiki/SUSE_Linux). So you may need to update your fortran compiler. On 6/26/2012 4:54 AM, farouk boutaiba wrote: Thank sir for your help but i have already error when execute run_lapw: LAPW0 END forrtl: severe (71): integer divide by zero Stack trace terminated abnormally. stop error BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 De : farouk boutaiba boutaiba_f at yahoo.frmailto:boutaiba_f at yahoo.fr ? : wien at zeus.theochem.tuwien.ac.atmailto:wien at zeus.theochem.tuwien.ac.at wien at zeus.theochem.tuwien.ac.atmailto:wien at zeus.theochem.tuwien.ac.at Envoy? le : Dimanche 24 juin 2012 15h36 Objet : error in calculation with wien2k Dear wien2k user; after instalation of wien2k code, I am getting following error while running x nn: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /root/wien/nn nn.def failed I have following settings: Compiler: /opt/intel/fce/9.1.026/bin Options: current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O3 -axT current:FPOPT: current:LDFLAGS:$(FOPT) -L /opt/intel/mkl/9.1.023/lib/em64t -lguide -lpthread -L/lib64 current:DPARALLEL:'-DParallel' current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lpthread -pthread current:RP_LIBS: CPU Information Processor (CPU): Intel(R) Core(TM) i5-2400S CPU @ 2.50GHz Speed: 1,600.00 MHz Cores: 4 Total memory (RAM): 3.0 GiB system Information Linux 2.6.31.5-0.1-desktop x86_64 System: openSUSE 11.2 (x86_64) KDE: 4.3.1 (KDE 4.3.1) release 6 I appreciate any help. Thanks in advance BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.atmailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
[Wien] error in calculation with wien2k
Dear wien2k user; after instalation of wien2k code,I am getting following error while running x nn: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory 0.000u 0.000s 0:00.00 0.0%? 0+0k 0+0io 0pf+0w error: command?? /root/wien/nn nn.def?? failed I have following settings: Compiler: /opt/intel/fce/9.1.026/bin Options: current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O3 -axT current:FPOPT: current:LDFLAGS:$(FOPT) -L /opt/intel/mkl/9.1.023/lib/em64t -lguide -lpthread -L/lib64 current:DPARALLEL:'-DParallel' current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lpthread -pthread current:RP_LIBS: CPU Information Processor (CPU): Intel(R) Core(TM) i5-2400S CPU @ 2.50GHz Speed: 1,600.00 MHz Cores: 4 Total memory (RAM): 3.0 GiB system Information Linux 2.6.31.5-0.1-desktop x86_64 System: openSUSE 11.2 (x86_64) KDE: 4.3.1 (KDE 4.3.1) release 6 I appreciate any help. Thanks in advance ? BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120624/a33bcdf0/attachment.htm
[Wien] error in calculation with wien2k
To remove the libguide.so error, try adding -static to the L Linker Flags in ./siteconfig and recompile. On 6/24/2012 9:36 AM, farouk boutaiba wrote: Dear wien2k user; after instalation of wien2k code, I am getting following error while running x nn: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /root/wien/nn nn.def failed I have following settings:// Compiler: /opt/intel/fce/9.1.026/bin Options: current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O3 -axT current:FPOPT: current:LDFLAGS:$(FOPT) -L /opt/intel/mkl/9.1.023/lib/em64t -lguide -lpthread -L/lib64 current:DPARALLEL:'-DParallel' current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lpthread -pthread current:RP_LIBS: // CPU Information Processor (CPU): Intel(R) Core(TM) i5-2400S CPU @ 2.50GHz Speed: 1,600.00 MHz Cores: 4 Total memory (RAM): 3.0 GiB system Information Linux 2.6.31.5-0.1-desktop x86_64 System: openSUSE 11.2 (x86_64) KDE: 4.3.1 (KDE 4.3.1) release 6 // // I appreciate any help. Thanks in advance BOUTAIBA Farouk University of Science and Technology of Oran Tel:00213555497982 ___ 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/20120624/1186d4cc/attachment.htm
