Osman Bar?? Malc?o?lu wrote: > espresso 3.2.3 is problematic with mkl 10.x series.
no sir, it is the mkl 10.x series that is problematic with espresso 3.2.3. The correct usage of mkl requires some voodoo, and what is worse, a different one for each version. Here is version 10.x of the mkl voodoo: LDFLAGS = -i-static -openmp (so you do not need -lguide -lpthreahds) BLAS_LIBS = -lmkl_ia32 LAPACK_LIBS = empty: you do not need it any longer) This, assuming 32-bit compilation and correct initialization of both the intel compiler and the mkl paths via execution of the appropriate scripts (hidden somewhere in the ifort/mkl distribution). If mkl paths are not correctly set, one should use instead BLAS_LIBS = -L/opt/intel/mkl/10.0.1.014/lib/32 -lmkl_ia32 nazari at iasbs.ac.ir wrote: > But the CVS version also has the same problem. no sir, the CVS version works (at least for 64-bit compilation, that should be the default for newer CPUs: why do you want 32-bit compilation?): I spent several hours to have it working on my new workstation. Of course, it may not work if you have a funny system configuration, or if you use "configure" with 42 options so that it doesn't configure anything. Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
