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Updated with instructions for Cray XE6 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9419 c92efa57-630b-4861-b058-cf58834340f0
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giannozz 2012-09-11 19:50:47 +00:00
parent 2601f77f70
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1 changed files with 27 additions and 4 deletions
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Doc/user_guide.tex
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@ -851,6 +851,11 @@ Note that \qe\ is self-contained (with the exception of MPI libraries for
parallel compilation): if system libraries are missing, the problem is in
your compiler/library combination or in their usage, not in \qe.
\item
If you get an error like {\em Can't open module file global\_version.mod}:
your machine doesn't like the script that produces file \texttt{version.f90}
with the correct version and revision. Quick solution: copy
\texttt{Modules/version.f90.in} to \texttt{Modules/version.f90}.
\item
If you get mysterious errors in the provided tests and examples:
your compiler, or your mathematical libraries, or MPI libraries,
or a combination thereof, is very likely buggy. Although the
@ -859,11 +864,29 @@ the testing phase can never be ruled out, it is very unlikely
that this happens on the provided tests and examples.
\end{itemize}
\subsubsection{Cray XT machines}
\subsubsection{Cray XE and XT machines}
Use \texttt{./configure ARCH=crayxt4} or else \configure\ will
not recognize the Cray-specific software environment. Older Cray
machines: T3D, T3E, X1, are no longer supported.
For Cray XE machines:
\begin{verbatim}
$ module swap PrgEnv-cray PrgEnv-pgi
$ ./configure --enable-openmp --enable-parallel --with-scalapack
$ vim make.sys
\end{verbatim}
then manually add \texttt{-D\_\_IOTK\_WORKAROUND1} at the end of \texttt{DFLAGS} line.
''Now, despite what people can imagine, every CRAY machine deployed can
have different environment. For example on the machine I usually use
for tests [...] I do have to unload some modules to make QE running
properly. On another CRAY [...] there is also Intel compiler as option
and the system is slightly different compared to the other.
So my recipe should work, 99\% of the cases.
I strongly suggest you to use PGI, also for a performance point of view.''
(Info by Filippo Spiga, Sept. 2012)
For Cray XT machines, use \texttt{./configure ARCH=crayxt4} or else
\configure\ will not recognize the Cray-specific software environment.
Older Cray machines: T3D, T3E, X1, are no longer supported.
\subsubsection{IBM AIX}