For those who are familiar with VASP, in order to include the interface to Wannier90, one needs to specify:
• '-DVASP2WANNIER90' pre-compiler flag to interface with version 1.
• '-DVASP2WANNIER90v2' pre-compiler flag to interface with version 2 (from VASP 5.4.4).
(In addition to the linking with Wannier90 library libwannier.a, see here for details).
How about the pre-compiler flag for the interface to version 3?
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With more recent F90 compilers, performance seems at least as good and often better than with the corresponding F77 compiler, for old F77 code. For instance, Lahey reports improvement from 8.5 to 14.1 Mflops with linpack on a pentium between EM/32 and their F90 compiler. To remove Free PGI for OS X, simply drag the icon from the Applications folder to the Trash. To remove a PGI installation from a Windows platform, use the Control Panel- Programs and Features facility, and uninstall the PGI product or version in question.
F77 X Sierra Wheels
However, when I try to compile a simple MPI FORTRAN program with mpifort, I always get the following error:
It is worth to note that by default, Open MPI will attempt to build all 3 Fortran bindings: mpif.h, the 'mpi' module, and the 'mpi_f08' module. So what is the problem here and how to fix it?
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With more recent F90 compilers, performance seems at least as good and often better than with the corresponding F77 compiler, for old F77 code. For instance, Lahey reports improvement from 8.5 to 14.1 Mflops with linpack on a pentium between EM/32 and their F90 compiler. To remove Free PGI for OS X, simply drag the icon from the Applications folder to the Trash. To remove a PGI installation from a Windows platform, use the Control Panel- Programs and Features facility, and uninstall the PGI product or version in question.
F77 X Sierra Wheels
However, when I try to compile a simple MPI FORTRAN program with mpifort, I always get the following error:
It is worth to note that by default, Open MPI will attempt to build all 3 Fortran bindings: mpif.h, the 'mpi' module, and the 'mpi_f08' module. So what is the problem here and how to fix it?
Read More...
F77 X Sierra For Sale
• System Version: OS X 10.9.3
• LAMMPS Version: 1-Feb-2014
• FORTRAN Compiler: Intel FORTRAN Composer XE (version 14.0.2)
• C++ Compiler: Intel C++ Composer XE (version 14.0.2)
• BLAS, LAPACK, FFTW: Intel MKL (version 11.1)
• MPI Library: OpenMPI (version 1.8.1)
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