Im sorry, i was wrong. The mkl liraries were found, but it did not seem to find the LAPACK and FFTW libs. However I carried on with the compilation, ended without error, the only thing i noticed was the following line in the output of the configure script:
checking for library containing dspev... none required I believe dspev is a lapack function, but since it said it was not required I moved on to the examples. I tried example01 in /path/to/espresso/examples/example01 The out put was [root at cuda_1 example01]# ./run_example /opt/espresso-PRACE/examples/example01 : starting This example shows how to use pw.x to calculate the total energy and the band structure of four simple systems: Si, Al, Cu, Ni. executables directory: /opt/espresso-PRACE/bin pseudo directory: /opt/espresso-PRACE/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: /opt/espresso-PRACE/bin/pw.x running bands.x as: /opt/espresso-PRACE/bin/bands.x cleaning /root/tmp... done running the scf calculation for Si...2 Error condition encountered during test: exit status = 2 Aborting I checked the .out file of the example and found this error: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from cdiaghg : error # 21 diagonalization (ZHEGV*) failed %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... Thanks for your answer, Federico.- ----------------mensaje original----------------- De: "Axel Kohlmeyer" akohlmey at gmail.com Para: "Federico Vadell" federico at clustering.com.ar CC: pw_forum at pwscf.org Fecha: Tue, 14 Feb 2012 10:25:10 -0500 ------------------------------------------------- > On Tue, Feb 14, 2012 at 9:59 AM, Federico Vadell > federico at clustering.com.ar wrote: >> Dear all, >> >> I m having trouble with the configure script since it does not seem to find >> the mkl libs. Im using espresso-PRACE and intel composer XE 2011 sp1. Ive >> tried this line: >> >> ./configure? --enable-openmp --enable-cuda >> LIBDIRS="/opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/" >> --prefix=/opt/espresso-PRACE >> >> where /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64 has >> >> libaux_ia32_gfortran.a????????? libmkl_core.a??????????? >> libmkl_p4n.so >> libaux_ia32_gnu.a?????????????? libmkl_core.so?????????? >> libmkl_pgi_thread.a >> libaux_ia32_intel.a???????????? libmkl_def.so >> libmkl_pgi_thread.so >> libaux_intel64_gfortran.a?????? libmkl_gf_ilp64.a??????? >> libmkl_rt.so >> libaux_intel64_gnu.a??????????? libmkl_gf_ilp64.so >> libmkl_scalapack_ilp64.a >> libaux_intel64_intel.a????????? libmkl_gf_lp64.a >> libmkl_scalapack_ilp64.so >> libmkl_avx.so?????????????????? libmkl_gf_lp64.so >> libmkl_scalapack_lp64.a >> libmkl_blacs_ilp64.a??????????? libmkl_gnu_thread.a >> libmkl_scalapack_lp64.so >> libmkl_blacs_intelmpi_ilp64.a?? libmkl_gnu_thread.so???? >> libmkl_sequential.a >> libmkl_blacs_intelmpi_ilp64.so? libmkl_intel_ilp64.a >> libmkl_sequential.so >> libmkl_blacs_intelmpi_lp64.a??? libmkl_intel_ilp64.so >> libmkl_solver_ilp64.a >> libmkl_blacs_intelmpi_lp64.so?? libmkl_intel_lp64.a >> libmkl_solver_ilp64_sequential.a >> libmkl_blacs_lp64.a???????????? libmkl_intel_lp64.so >> libmkl_solver_lp64.a >> libmkl_blacs_openmpi_ilp64.a??? libmkl_intel_sp2dp.a >> libmkl_solver_lp64_sequential.a >> libmkl_blacs_openmpi_lp64.a???? libmkl_intel_sp2dp.so??? >> libmkl_vml_avx.so >> libmkl_blacs_sgimpt_ilp64.a???? libmkl_intel_thread.a??? >> libmkl_vml_def.so >> libmkl_blacs_sgimpt_lp64.a????? libmkl_intel_thread.so?? >> libmkl_vml_mc2.so >> libmkl_blas95_ilp64.a?????????? libmkl_lapack95_ilp64.a? >> libmkl_vml_mc3.so >> libmkl_blas95_lp64.a??????????? libmkl_lapack95_lp64.a?? >> libmkl_vml_mc.so >> libmkl_cdft_core.a????????????? libmkl_mc3.so??????????? >> libmkl_vml_p4n.so >> libmkl_cdft_core.so???????????? libmkl_mc.so???????????? locale >> >> These are the last lines of the configure: >> >> The following libraries have been found: >> ? BLAS_LIBS=/opt/espresso-PRACE/phiGEMM/lib/libphigemm.a >> -lmkl_intel_lp64? -lmkl_intel_thread -lmkl_core >> ? LAPACK_LIBS= >> ? FFT_LIBS= >> >> If anyone can help i'd be gratefull > > why do you think there is a problem? > it looks to me as if MKL *was* found. > > axel. > > >> >> Federico.- >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > > -- > Dr. Axel Kohlmeyer > akohlmey at gmail.com ?http://goo.gl/1wk0 > > College of Science and Technology > Temple University, Philadelphia PA, USA. > >
