Documentation updated

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3777 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2007-02-13 15:37:29 +00:00
parent 66ed791360
commit b9509157c4
1 changed files with 23 additions and 10 deletions

View File

@ -1174,8 +1174,14 @@ to produce a binary that runs on different machines, compile it
on the oldest machine you have (i.e. the one with the oldest verison
of the operating system).
\paragraph{Linux PCs with Portland Group compiler (pgf90)}
\paragraph{Linux PCs with g95 compiler}
If you get messages about missing routines with strange names
(like \texttt{s\_wsfe, do\_fio}...) at linking stage, you
have most likely used g77 (or f77) as fortran-77 compiler.
Use g95 instead.
\paragraph{Linux PCs with Portland Group compiler (pgf90)}
\hfill\break
Quantum-ESPRESSO does not work reliably, or not at all, with many
versions of the Portland Group compiler (in particular, v.5.2
@ -1368,20 +1374,27 @@ your fortran compiler, or to use the internal (slow) copy.
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 \texttt{-lg2c}, as in the
following example (replace what follows \texttt{-L} with
something appropriate to your configuration):
For AMD Opterons, you can use the optimized ACML (Core Math Library)
replacement for BLAS/LAPACK. 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.
The best performances have been reported with the optimized BLAS
by Kazushige Goto:
\htmladdnormallink%
{\texttt{http://www.cs.utexas.edu/users/flame/goto/}}%
{http://www.cs.utexas.edu/users/flame/goto/}.
One can also get good performances with ATLAS, using ACML for the
missing libraries (info by K. Kudin). Load first ATLAS, then ACML,
then \texttt{-lg2c}, as in the following example (replace what
follows \texttt{-L} with something appropriate to your configuration):
\begin{verbatim}
-L/location/of/fftw/lib/ -lfftw \
-L/location/of/atlas/lib -lf77blas -llapack -lcblas -latlas \
-L/location/of/gnu32_nosse2/lib -lacml -lg2c
\end{verbatim}
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, \texttt{-D\_\_LINUX64} is