mirror of https://gitlab.com/QEF/q-e.git
Documentation updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3777 c92efa57-630b-4861-b058-cf58834340f0
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@ -1174,8 +1174,14 @@ to produce a binary that runs on different machines, compile it
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on the oldest machine you have (i.e. the one with the oldest verison
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of the operating system).
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\paragraph{Linux PCs with Portland Group compiler (pgf90)}
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\paragraph{Linux PCs with g95 compiler}
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If you get messages about missing routines with strange names
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(like \texttt{s\_wsfe, do\_fio}...) at linking stage, you
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have most likely used g77 (or f77) as fortran-77 compiler.
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Use g95 instead.
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\paragraph{Linux PCs with Portland Group compiler (pgf90)}
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\hfill\break
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Quantum-ESPRESSO does not work reliably, or not at all, with many
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versions of the Portland Group compiler (in particular, v.5.2
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@ -1368,20 +1374,27 @@ your fortran compiler, or to use the internal (slow) copy.
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AMD Athlon CPUs can be basically treated like Intel Pentium CPUs.
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You can use the Intel compiler and MKL with Pentium-3 optimization.
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Konstantin Kudin reports that the best results in terms of
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performances are obtained with ATLAS optimized BLAS/LAPACK
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libraries, using AMD Core Math Library (ACML) for the missing
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libraries. ACML can be freely downloaded from AMD web site.
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Beware: some versions of ACML -- i.e. the GCC version with SSE2 --
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crash PWscf. The ``\_nosse2'' version appears to be stable.
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Load first ATLAS, then ACML, then \texttt{-lg2c}, as in the
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following example (replace what follows \texttt{-L} with
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something appropriate to your configuration):
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For AMD Opterons, you can use the optimized ACML (Core Math Library)
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replacement for BLAS/LAPACK. ACML can be freely downloaded from AMD
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web site. Beware: some versions of ACML -- i.e. the GCC version with
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SSE2 -- crash PWscf. The ``\_nosse2'' version appears to be stable.
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The best performances have been reported with the optimized BLAS
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by Kazushige Goto:
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\htmladdnormallink%
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{\texttt{http://www.cs.utexas.edu/users/flame/goto/}}%
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{http://www.cs.utexas.edu/users/flame/goto/}.
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One can also get good performances with ATLAS, using ACML for the
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missing libraries (info by K. Kudin). Load first ATLAS, then ACML,
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then \texttt{-lg2c}, as in the following example (replace what
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follows \texttt{-L} with something appropriate to your configuration):
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\begin{verbatim}
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-L/location/of/fftw/lib/ -lfftw \
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-L/location/of/atlas/lib -lf77blas -llapack -lcblas -latlas \
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-L/location/of/gnu32_nosse2/lib -lacml -lg2c
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\end{verbatim}
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64-bit CPUs like the AMD Opteron and the Intel Itanium are
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supported and should work both in 32-bit emulation and in
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64-bit mode (in the latter case, \texttt{-D\_\_LINUX64} is
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