For MKL 10.0, do not set OMP_NUM_THREADS or MKL_NUM_THREADS For MKL 10.0 you may need -lmkl_core FOR IFORT 10.1 the otimization will not work (see previous messages)
There is no need to use the -Bstatic or -Bdynamic switches on em64t systems. use -traceback and/or -traceback -g to see where the error appears. you can nicely see how unstable ifort 10.1 is at present. I still recommend for myself to use ifort 10.0 with mkl 9.1 Ciao Gerhard ________________________________________ Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von ??? [yys2064 at snu.ac.kr] Gesendet: Mittwoch, 12. M?rz 2008 08:17 An: wien at zeus.theochem.tuwien.ac.at Betreff: [Wien] Install problem with Intel compiler 10 on em64t arch. Dear all Wien2k users, I`m trying to install wien2k version 8, with Intel fortran compiler with MKL but encounter a problem with library (I guess). Intel compiler version: 10.1.008 MKL version: 10.0.1.014 System: Dell precision 690 with 16G ram and Xeon 5300 dual quad core (8 cpu) OS: Redhat Enterprise4 2.6.9-67.0.4.ELsmp The following is what I did to compile wien2k on my system. I changed flags a little, 1) Almost like default setting in siteconfig_lapw O: -FR -mp1 -w -prec_div -pc80 -pad ?ip ?DINTEL_VML L: $(FOPT) -L/opt/intel/mkl/10.0.1.014/lib/em64t R: -lmkl_lapack -lmkl_em64t -lguide -lvml ?lphtread After compile process, I found that it did not work at all. 2) Another options Therefore I tried another configuration. From the text, ?How to compile Wien2k? (http://www.ghfecher.de/html/bandstructure.html) I changed some paths and options, O: -FR -w -mp1 -prec_div -pad -ip -O3 -xT -DINTEL_VML L: $(FOPT) -L/opt/intel/fce/10.1.008/lib -i-static -Bstatic -lguide_stats -lsvml -Bdynamic -lpthread R: -L/opt/intel/mkl/10.0.1.014/lib/em64t -Bstatic -lmkl_lapack -lmkl_em64t -lguide -Bdynamic -lpthread It works better than 1st configuration. But after making structure file(following the user guide), I cannot run the SCF calculation with error. The errors are, ________________________________ [STDOUT] FORTRAN STOP LAPW0 END > stop error [TiC.dayfile] Calculating TiC in /data/wien2k_data/lapw/TiC on G2MAT with PID 20754 start (2008. 03. 12. (?? 11:51:32 KST) with lapw0 (40/99 to go) cycle 1 (2008. 03. 12. (?? 11:51:32 KST) (40/99 to go) > lapw0 (11:51:32) 2.423u 0.052s 0:02.48 99.5% 0+0k 0+0io 0pf+0w > lapw1 (11:51:34) Abort 1.469u 1.036s 0:00.65 383.0% 0+0k 0+0io 0pf+0w error: command /usr/local/wien2k/lapw1 lapw1.def failed > stop error ________________________________ How could I compile this program successfully? I did several options after compile failure on system. But in did not work at all. Any helps on the question, would be appreciated.
