AMD CPUs, Intel Itanium

AMD Athlon CPUs can be basically treated like Intel Pentium CPUs. You can use the Intel compiler and MKL with Pentium-3 optimization.

Konstantin Kudin reports that the best results in terms of performances are obtained with ATLAS optimized BLAS/LAPACK libraries, using AMD Core Math Library (ACML) for the missing libraries. ACML can be freely downloaded from AMD web site. Beware: some versions of ACML - i.e. the GCC version with SSE2 - crash PWscf. The ``_nosse2'' version appears to be stable. Load first ATLAS, then ACML, then -lg2c, as in the following example (replace what follows -L with something appropriate to your configuration):

 -L/location/of/fftw/lib/ -lfftw \
 -L/location/of/atlas/lib -lf77blas -llapack -lcblas -latlas \
 -L/location/of/gnu32_nosse2/lib -lacml -lg2c
64-bit CPUs like the AMD Opteron and the Intel Itanium are supported and should work both in 32-bit emulation and in 64-bit mode (in the latter case, -D__LINUX64 is needed among the preprocessing flags). Both the PGI and the Intel compiler (v8.1 EM64T-edition, available via Intel Premier support) should work. 64-bit executables can address a much larger memory space, but apparently they are not especially faster than 32-bit executables. The Intel compiler has been reported to be more reliable and to produce faster executables wrt the PGI compiler. You may also try with g95.

The PWSCF Group - 2005-11-18