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<A NAME="CHILD_LINKS"><STRONG>Subsections</STRONG></A>

<UL>
<LI><A NAME="tex2html291"
  HREF="node14.html#SECTION00037100000000000000">2.7.1 All architectures</A>
<LI><A NAME="tex2html292"
  HREF="node14.html#SECTION00037200000000000000">2.7.2 Intel Xeon Phi</A>
<LI><A NAME="tex2html293"
  HREF="node14.html#SECTION00037300000000000000">2.7.3 Cray machines</A>
<LI><A NAME="tex2html294"
  HREF="node14.html#SECTION00037400000000000000">2.7.4 IBM AIX</A>
<LI><A NAME="tex2html295"
  HREF="node14.html#SECTION00037500000000000000">2.7.5 IBM BlueGene</A>
<LI><A NAME="tex2html296"
  HREF="node14.html#SECTION00037600000000000000">2.7.6 Linux PC</A>
<UL>
<LI><A NAME="tex2html297"
  HREF="node14.html#SECTION00037610000000000000">2.7.6.1 Linux PCs with gfortran</A>
<LI><A NAME="tex2html298"
  HREF="node14.html#SECTION00037620000000000000">2.7.6.2 Linux PCs with g95</A>
<LI><A NAME="tex2html299"
  HREF="node14.html#SECTION00037630000000000000">2.7.6.3 Linux PCs with Pathscale compiler</A>
<LI><A NAME="tex2html300"
  HREF="node14.html#SECTION00037640000000000000">2.7.6.4 Linux PCs with Sun Studio compiler</A>
<LI><A NAME="tex2html301"
  HREF="node14.html#SECTION00037650000000000000">2.7.6.5 Linux PCs with AMD Open64 suite</A>
<LI><A NAME="tex2html302"
  HREF="node14.html#SECTION00037660000000000000">2.7.6.6 Linux PCs with Intel compiler (ifort)</A>
<LI><A NAME="tex2html303"
  HREF="node14.html#SECTION00037670000000000000">2.7.6.7 Linux PCs with MKL libraries</A>
<LI><A NAME="tex2html304"
  HREF="node14.html#SECTION00037680000000000000">2.7.6.8 Linux PCs with ACML libraries</A>
</UL>
<BR>
<LI><A NAME="tex2html305"
  HREF="node14.html#SECTION00037700000000000000">2.7.7 Linux PC clusters with MPI</A>
<LI><A NAME="tex2html306"
  HREF="node14.html#SECTION00037800000000000000">2.7.8 Mac OS</A>
<UL>
<LI><A NAME="tex2html307"
  HREF="node14.html#SECTION00037810000000000000">2.7.8.1 Detailed installation instructions for Mac OS X 10.6</A>
<LI><A NAME="tex2html308"
  HREF="node14.html#SECTION00037820000000000000">2.7.8.2 Compilation with GNU compilers</A>
<LI><A NAME="tex2html309"
  HREF="node14.html#SECTION00037830000000000000">2.7.8.3 Compilation with Intel compilers</A>
</UL></UL>
<!--End of Table of Child-Links-->
<HR>

<H2><A NAME="SECTION00037000000000000000">
2.7 Installation tricks and problems</A>
</H2>

<P>

<H3><A NAME="SECTION00037100000000000000">
2.7.1 All architectures</A>
</H3>

<UL>
<LI>Working Fortran and C compilers are needed in order
to compile Q<SMALL>UANTUM </SMALL>ESPRESSO. Most recent Fortran compiles will do
the job, but earlier Fortran-90 compilers that do not
support allocatable arrays in derived types (e.g. old
gfortran versions) are no longer supported since v.5.1.2.
Also, compilers that do not support intrinsic calls
<TT>flush</TT>, <TT>get_environment_variable</TT>,
<TT>get_command_argument</TT>, <TT>command_argument_count</TT>
are no longer supported since v.5.2.1.

<P>
C and Fortran compilers must be in your PATH.
If <TT>configure</TT> says that you have no working compiler, well,
you have no working compiler, at least not in your PATH, and
not among those recognized by <TT>configure</TT>.
</LI>
<LI>If you get <EM>Compiler Internal Error</EM> or similar messages: your
compiler version is buggy. Try to lower the optimization level, or to
remove optimization just for the routine that has problems. If it
doesn't work, or if you experience weird problems at run time, try to
install patches for your version of the compiler (most vendors release
at least a few patches for free), or to upgrade to a more recent
compiler version.
</LI>
<LI>If you get error messages at the loading phase that look like
<EM>file XYZ.o: unknown / not recognized/ invalid / wrong
file type / file format / module version</EM>,
one of the following things have happened:

<OL>
<LI>you have leftover object files from a compilation with another
  compiler: run <TT>make clean</TT> and recompile.
</LI>
<LI><TT>make</TT> did not stop at the first compilation error (it may
happen in some software configurations). Remove the file *.o
that triggers the error message, recompile, look for a
compilation error.
</LI>
</OL>
If many symbols are missing in the loading phase: you did not specify the
location of all needed libraries (LAPACK, BLAS, FFTW, machine-specific
optimized libraries), in the needed order.
If only symbols from <TT>clib/</TT> are missing, verify that
you have the correct C-to-Fortran bindings, defined in
<TT>include/c_defs.h</TT>.
Note that Q<SMALL>UANTUM </SMALL>ESPRESSO 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 Q<SMALL>UANTUM </SMALL>ESPRESSO.
</LI>
<LI>If you get an error like <EM>Can't open module file global_version.mod</EM>:
your machine doesn't like the script that produces file <TT>version.f90</TT>
with the correct version and revision. Quick solution: copy
<TT>Modules/version.f90.in</TT> to <TT>Modules/version.f90</TT>.
</LI>
<LI>If you get mysterious errors ("Segmentation faults" and the like)
in the provided tests and examples:
your compiler, or your mathematical libraries, or MPI libraries,
or a combination thereof, is very likely buggy, or there is some
form of incompatibility (see below). Although the
presence of subtle bugs in Q<SMALL>UANTUM </SMALL>ESPRESSO that are not revealed during
the testing phase can never be ruled out, it is very unlikely
that this happens on the provided tests and examples.
</LI>
</UL>

<P>

<H3><A NAME="SECTION00037200000000000000">
2.7.2 Intel Xeon Phi</A>
</H3>
For Intel Xeon CPUs with Phi coprocessor, there are three ways of compiling:

<UL>
<LI><EM>offload</EM> mode, executed on main CPU and offloaded onto coprocessor
"automagically";
</LI>
<LI><EM>native</EM> mode, executed completely on coprocessor;
</LI>
<LI><EM>symmetric</EM> mode, requiring creation of both binaries.
</LI>
</UL>
"You can take advantage of the offload mode using the <TT>libxphi</TT>
library. This library offloads the BLAS/MKL functions on the Xeon Phi
platform hiding the latency times due to the communication. You just
need to compile this library and then to link it dynamically. The
library works with any version of QE. Libxphi is available from
<TT>https://github.com/cdahnken/libxphi</TT>. Some documentation is
available therein.

<P>
Instead, if you want to compile a native version of QE, you just need
to add the <TT>-mmic</TT> flag and cross compile. If you want to use
the symmetric mode, you need to compile twice: with and without the
<TT>-mmic</TT> flag". "[...] everything, i.e. code+libraries, must be
cross-compiled with the <TT>-mmic</TT> flag. In my opinion, it's pretty
unlikely that native mode can outperform the execution on the standard
Xeon cpu. I strongly suggest to use the Xeon Phi in offload mode, for now"
(info by Fabio Affinito, March 2015).

<P>

<H3><A NAME="SECTION00037300000000000000">
2.7.3 Cray machines</A>
</H3>

<P>
For Cray XE machines:
<PRE>
$ module swap PrgEnv-cray PrgEnv-pgi
$ ./configure --enable-openmp --enable-parallel --with-scalapack
$ vim make.inc
</PRE>
then manually add <TT>-D__IOTK_WORKAROUND1</TT> at the end of <TT>DFLAGS</TT> line.

<P>
''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)

<P>
For Cray XT machines, use <TT>./configure ARCH=crayxt4</TT> or else
<TT>configure</TT> will not recognize the Cray-specific software environment.

<P>
Older Cray machines: T3D, T3E, X1, are no longer supported.

<P>

<H3><A NAME="SECTION00037400000000000000">
2.7.4 IBM AIX</A>
</H3>

<P>
As of v.6.0 IBM machines with AIX are no longer supported.

<P>

<H3><A NAME="SECTION00037500000000000000">
2.7.5 IBM BlueGene</A>
</H3>

<P>
The current <TT>configure</TT> is tested and works on the machines at CINECA
and at J&#252;lich. For other sites, you may need something like
<PRE>
  ./configure ARCH=ppc64-bg BLAS_LIBS=...  LAPACK_LIBS=... \
              SCALAPACK_DIR=... BLACS_DIR=..."
</PRE>
where the various *_LIBS and *_DIR "suggest" where the various libraries
are located.

<P>

<H3><A NAME="SECTION00037600000000000000">
2.7.6 Linux PC</A>
</H3>

<P>
Both AMD and Intel CPUs, 32-bit and 64-bit, are supported and work,
either in 32-bit emulation and in 64-bit mode. 64-bit executables
can address a much larger memory space than 32-bit executable, but
there is no gain in speed.
Beware: the default integer type for 64-bit machine is typically
32-bit long. You should be able to use 64-bit integers as well,
but it is not guaranteed to work and will not give
any advantage anyway.

<P>
Currently, <TT>configure</TT> supports Intel (ifort), NAG (nagfor), and gfortran
compilers. Support for other compilers: g95, Portland (pgf90), Pathscale
(pathf95), Sun Studio (sunf95), AMD Open64 (openf95), added in the past,
is still there, but it might have become obsolete.
Both Intel MKL and AMD acml mathematical libraries are supported, the
former much better than the latter.

<P>
It is usually convenient to create semi-statically linked executables (with only
libc, libm, libpthread dynamically linked). If you want to produce a binary
that runs on different machines, compile it on the oldest machine you have
(i.e. the one with the oldest version of the operating system).

<P>

<H4><A NAME="SECTION00037610000000000000">
2.7.6.1 Linux PCs with gfortran</A>
</H4>

<P>
Only recent versions (at least v.4.4) of gfortran properly compile Q<SMALL>UANTUM </SMALL>ESPRESSO.
Older versions often produce nonfunctional phonon executables
(segmentation faults and the like); other versions miscompile iotk
(the executables work but crash with a mysterious iotk
error when reading from data files).

<P>
"There is a known incompatibility problem between the calling
convention for Fortran functions that return complex values: there is the
convention used by
g77/f2c, where in practice the compiler converts such functions to subroutines
with a further parameter for the return value; gfortran instead produces a
normal function returning a complex value.
If your system libraries were compiled using g77 (which may happen for
system-provided libraries in not-too-recent Linux distributions),
and you instead use gfortran to compile Q<SMALL>UANTUM </SMALL>ESPRESSO, your code
may crash or produce random results. This typically happens
during calls to <TT>zdotc</TT>, which is one the most commonly used
complex-returning functions of BLAS+LAPACK.

<P>
For further details see for instance this link:
<BR><TT>http://www.macresearch.org/lapackblas-fortran-106#comment-17071</TT>
<BR>
or read the man page of gfortran under the flag <TT>-ff2c</TT>.

<P>
If your code crashes during a call to <TT>zdotc</TT>,
try to recompile Q<SMALL>UANTUM </SMALL>ESPRESSO using the internal BLAS and LAPACK
routines (using the <TT>-with-internal-blas</TT> and
<TT>-with-internal-lapack</TT> parameters of the configure script)
to see if the problem disappears; or, add the <TT>-ff2c</TT> flag"
(info by Giovanni Pizzi, Jan. 2013).

<P>
Note that a similar problem with complex functions exists with MKL libraries
as well: if you compile with gfortran, link <TT>-lmkl_gf_lp64</TT>,
not <TT>-lmkl_intel_lp64</TT>, and the like for other architectures.
Since v.5.1, you may use the following workaround:
add preprocessing option <TT>-Dzdotc=zdotc_wrapper</TT> to <TT>DFLAGS</TT>.

<P>

<H4><A NAME="SECTION00037620000000000000">
2.7.6.2 Linux PCs with g95</A>
</H4>

<P>
g95 v.0.91 and later versions (<TT>http://www.g95.org</TT>) should
work, but the executables it produces are noticeably slower than
those of other compilers. Also notice that the development of g95
seems to have stopped.

<P>

<H4><A NAME="SECTION00037630000000000000">
2.7.6.3 Linux PCs with Pathscale compiler</A>
</H4>

<P>
Version 3.1 and version 4 (open source!) of the Pathscale EKO compiler
work (info by Cezary Sliwa, April 2011, and Carlo Nervi, June 2011).
In case of mysterious errors while compiling <TT>iotk</TT>,
remove all lines like:
<PRE>
# 1 "iotk_base.spp"
</PRE>
from all <TT>iotk</TT> source files.

<P>

<H4><A NAME="SECTION00037640000000000000">
2.7.6.4 Linux PCs with Sun Studio compiler</A>
</H4>

<P>
``The Sun Studio compiler, sunf95, is free (web site:
<TT>http://developers.sun.com/sunstudio/</TT> and comes
with a set of algebra libraries that can be used in place of the slow
built-in libraries. It also supports OpenMP, which g95 does not. On the
other hand, it is a pain to compile MPI with it. Furthermore the most
recent version has a terrible bug that totally miscompiles the iotk
input/output library (you'll have to compile it with reduced optimization).''
(info by Lorenzo Paulatto, March 2010).

<P>

<H4><A NAME="SECTION00037650000000000000">
2.7.6.5 Linux PCs with AMD Open64 suite</A>
</H4>

<P>
The AMD Open64 compiler suite, openf95 (web site:
<TT>http://developer.amd.com/cpu/open64/pages/default.aspx</TT>)
can be freely downloaded from the AMD site.
It is recognized by <TT>configure</TT> but little tested. It sort of works
but it fails to pass several tests (info by Paolo Giannozzi, March 2010).
"I have configured for Pathscale, then switched to the Open64 compiler by
editing make.inc. "make pw" succeeded and pw.x did process my file, but with
"make all" I get an internal compiler error [in CPV/wf.f90]" (info by Cezary
Sliwa, April 2011).

<P>

<H4><A NAME="SECTION00037660000000000000">
2.7.6.6 Linux PCs with Intel compiler (ifort)</A>
</H4>

<P>
The Intel compiler, ifort, is available for free for personal
usage (<TT>http://software.intel.com/</TT>). It produces fast executables,
at least on Intel CPUs, but not all versions work as expected (see below).
In case of trouble, update your version with the most recent patches,
available via Intel Premier support (registration free of charge for Linux):
<TT>http://software.intel.com/en-us/articles/intel-software-developer-support</TT>.
Since each major release of ifort
differs a lot from the previous one, compiled objects from different
releases may be incompatible and should not be mixed.

<P>
If <TT>configure</TT> doesn't find the compiler, or if you get
<EM>Error loading shared libraries</EM> at run time, you may have
forgotten to execute the script that
sets up the correct PATH and library path. Unless your system manager has
done this for you, you should execute the appropriate script - located in
the directory containing the compiler executable - in your
initialization files. Consult the documentation provided by Intel.

<P>
The warning: <EM>feupdateenv is not implemented and will always fail</EM>,
can be safely ignored. Warnings on "bad preprocessing option" when compiling
iotk and complains about ``recommanded formats'' may also be ignored.

<P>
The following compiler releases are known to give segmentation faults
in at least some cases of compilation of Q<SMALL>UANTUM </SMALL>ESPRESSO v.6.0:
<BLOCKQUOTE>
12.0.0.084 Build 20101006
<BR>
12.0.1.107 Build 20101116
<BR>
12.0.2.137 Build 20110112
<BR>
12.0.4.191 Build 20110427
<BR>
12.0.5.220 Build 20110719
<BR>
16.0.1.150 Build 20151021

</BLOCKQUOTE>
(Filippo Spiga, Aug. 2016)

<P>
<B>ifort v.12</B>: release 12.0.0 miscompiles iotk, leading to
mysterious errors when reading data files. Workaround: increase
the parameter BLOCKSIZE to e.g. 131072*1024 when opening files in
<TT>iotk/src/iotk_files.f90</TT> (info by Lorenzo Paulatto,
Nov. 2010). 

<P>
<B>ifort v.11</B>: Segmentation faults were reported for the combination
ifort 11.0.081, MKL 10.1.1.019, OpenMP 1.3.3. The problem disappeared
with ifort 11.1.056 and MKL 10.2.2.025 (Carlo Nervi, Oct. 2009).

<P>

<H4><A NAME="SECTION00037670000000000000">
2.7.6.7 Linux PCs with MKL libraries</A>
</H4>
On Intel CPUs it is very convenient to use Intel MKL libraries.
Recent versions also contain optimized FFT routines and a FFTW
interface. MKL libraries can be used also with non-Intel compilers.
They work also for AMD CPU, selecting the appropriate machine-optimized
libraries, but with reduced performances.

<P>
<TT>configure</TT> should recognize properly installed MKL libraries.
By default the non-threaded version of MKL is linked, unless option
<TT>configure -with-openmp</TT> is specified. In case of trouble,
refer to the following web page to find the correct way to link MKL:
<BR><TT>http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/</TT>.

<P>
For parallel (MPI) execution on multiprocessor (SMP) machines, set the
environment variable OMP_NUM_THREADS to 1 unless you know what you
are doing. See Sec.<A HREF="node15.html#Sec:para">3</A> for more info on this
and on the difference between MPI and OpenMP parallelization.

<P>
If you get a mysterious "too many communicators" error and a 
subsequent crash: there is a bug in Intel MPI and MKL 2016 update 3.
See this thread and the links quoted therein:
<code>http://www.mail-archive.com/pw_forum@pwscf.org/msg29684.html</code>.

<P>

<H4><A NAME="SECTION00037680000000000000">
2.7.6.8 Linux PCs with ACML libraries</A>
</H4>
For AMD CPUs, especially recent ones, you may find convenient to
link AMD acml libraries (can be freely downloaded from AMD web site).
<TT>configure</TT> should recognize properly installed acml libraries,
together with the compilers most frequently used on AMD systems:
pgf90, pathscale, openf95, sunf95.

<P>

<H3><A NAME="SECTION00037700000000000000"></A>
<A NAME="SubSec:LinuxPCMPI"></A>
<BR>
2.7.7 Linux PC clusters with MPI
</H3>
PC clusters running some version of MPI are a very popular
computational platform nowadays. Q<SMALL>UANTUM </SMALL>ESPRESSO is known to work
with at least two of the major MPI implementations (MPICH, LAM-MPI),
plus with the newer MPICH2 and OpenMPI implementation.
<TT>configure</TT> should automatically recognize a properly installed
parallel environment and prepare for parallel compilation.
Unfortunately this not always happens. In fact:

<UL>
<LI><TT>configure</TT> tries to locate a parallel compiler in a logical
  place with a logical name,  but if it has a strange names or it is
  located  in a strange location, you will have to instruct <TT>configure</TT>   to find it. Note that in many PC clusters (Beowulf), there is no
  parallel Fortran compiler in default installations:  you have to
  configure an appropriate script, such as mpif90.
</LI>
<LI><TT>configure</TT> tries to locate libraries (both mathematical and
  parallel libraries) in the usual places with usual names, but if
  they have strange names or strange locations, you will have to
  rename/move them, or to instruct <TT>configure</TT> to find them. If MPI
  libraries are not found,
  parallel compilation is disabled.
</LI>
<LI><TT>configure</TT> tests that the compiler and the libraries are
  compatible (i.e. the compiler may link the libraries without
  conflicts and without missing symbols). If they aren't and the
  compilation fails, <TT>configure</TT> will revert to serial compilation.
</LI>
</UL>

<P>
Apart from such problems, Q<SMALL>UANTUM </SMALL>ESPRESSO compiles and works on all non-buggy, properly
configured hardware and software combinations. In some cases you may have to
recompile MPI libraries: not all MPI installations contain support for
the Fortran compiler of your choice (or for any Fortran compiler
at all!).

<P>
If Q<SMALL>UANTUM </SMALL>ESPRESSO does not work for some reason on a PC cluster,
try first if it works in serial execution. A frequent problem with parallel
execution is that Q<SMALL>UANTUM </SMALL>ESPRESSO does not read from standard input,
due to the configuration of MPI libraries: see Sec.<A HREF="node19.html#SubSec:badpara">3.4</A>.
If you are dissatisfied with the performances in parallel execution,
see Sec.<A HREF="node15.html#Sec:para">3</A> and in particular Sec.<A HREF="node19.html#SubSec:badpara">3.4</A>.

<P>

<H3><A NAME="SECTION00037800000000000000">
2.7.8 Mac OS</A>
</H3>

<P>
Mac OS-X machines (10.4 and later) with Intel CPUs are supported
by <TT>configure</TT>, both with gfortran and with the Intel compiler ifort
and MKL libraries.
Parallel compilation with OpenMPI also works.

<P>
Gfortran information and binaries for Mac OS-X here:
<TT>http://hpc.sourceforge.net/</TT> and
<TT>https://wiki.helsinki.fi/display/HUGG/Installing+the+GNU+compilers+on+Mac+OS+X</TT>.

<P>
Mysterious crashes, occurring when <TT>zdotc</TT> is called, are due
to the same incompatibility of complex functions with some optimized
BLAS as reported in the "Linux PCs with gfortran" paragraph. Workaround:
add preprocessing option <TT>-Dzdotc=zdotc_wrapper</TT> to <TT>DFLAGS</TT>.

<P>

<H4><A NAME="SECTION00037810000000000000">
2.7.8.1 Detailed installation instructions for Mac OS X 10.6</A>
</H4>

<P>
(Instructions for 10.6.3 by Osman Baris Malcioglu, tested as of May 2010)
Summary for the hasty:

<UL>
<LI>GNU fortran:
Install macports compilers,
Install MPI environment,
Configure Q<SMALL>UANTUM </SMALL>ESPRESSO  using
<PRE>
  ./configure CC=gcc-mp-4.3 CPP=cpp-mp-4.3 CXX=g++-mp-4.3 F77=g95 FC=g95
</PRE>
</LI>
<LI>Intel compiler:
Use Version &gt; 11.1.088,
Use 32 bit compilers,
Install MPI environment,
install macports provided cpp (optional),
Configure Q<SMALL>UANTUM </SMALL>ESPRESSO using
<PRE>
 ./configure CC=icc CXX=icpc F77=ifort F90=ifort FC=ifort CPP=cpp-mp-4.3
</PRE>
</LI>
</UL>

<P>

<H4><A NAME="SECTION00037820000000000000">
2.7.8.2 Compilation with GNU compilers</A>
</H4>.
The following instructions use macports version of gnu compilers due to some
issues in mixing gnu supplied fortran compilers with apple modified gnu compiler
collection. For more information regarding macports please refer to:
<TT>http://www.macports.org/</TT>

<P>
First install necessary compilers from macports
<PRE>
   port install gcc43
   port install g95
</PRE>
The apple supplied MPI environment has to be overridden since there is
a new set of compilers now (and Apple provided mpif90 is just an empty
placeholder since Apple does not provide fortran compilers). I have used
OpenMPI for this case. Recommended minimum configuration line is:
<PRE>
  ./configure CC=gcc-mp-4.3 CPP=cpp-mp-4.3 CXX=g++-mp-4.3 F77=g95 FC=g95
</PRE>
of course, installation directory should be set accordingly if a multiple
compiler environment is desired. The default installation directory of
OpenMPI overwrites apple supplied MPI permanently!
<BR>
Next step is Q<SMALL>UANTUM </SMALL>ESPRESSO itself. Sadly, the Apple supplied optimized BLAS/LAPACK
libraries tend to misbehave under different tests, and it is much safer to
use internal libraries. The minimum recommended configuration
line is (presuming the environment is set correctly):
<PRE>
  ./configure CC=gcc-mp-4.3 CXX=g++-mp-4.3 F77=g95 F90=g95 FC=g95 \
              CPP=cpp-mp-4.3 --with-internal-blas --with-internal-lapack
</PRE>
<H4><A NAME="SECTION00037830000000000000">
2.7.8.3 Compilation with Intel compilers</A>
</H4>.
Newer versions of Intel compiler (&gt;11.1.067) support Mac OS X 10.6, and furthermore they are
bundled with intel MKL. 32 bit binaries obtained using 11.1.088 are tested and no problems
have been encountered so far. Sadly, as of 11.1.088 the 64 bit binary misbehave
under some tests. Any attempt to compile 64 bit binary using v.&lt; 11.1.088 will result in
very strange compilation errors.

<P>
Like the previous section, I would recommend installing macports compiler suite.
First, make sure that you are using the 32 bit version of the compilers,
i.e.
<PRE>
. /opt/intel/Compiler/11.1/088/bin/ifortvars.sh ia32
</PRE>
<PRE>
. /opt/intel/Compiler/11.1/088/bin/iccvars.sh ia32
</PRE>
will set the environment for 32 bit compilation in my case.

<P>
Then, the MPI environment has to be set up for Intel compilers similar to previous
section.

<P>
The recommended configuration line for Q<SMALL>UANTUM </SMALL>ESPRESSO is:
<PRE>
 ./configure CC=icc CXX=icpc F77=ifort F90=ifort FC=ifort CPP=cpp-mp-4.3
</PRE>
MKL libraries will be detected automatically if they are in their default locations.
Otherwise, mklvars32 has to be sourced before the configuration script.

<P>
Security issues:
MacOs 10.6 comes with a disabled firewall. Preparing a ipfw based firewall is recommended.
Open source and free GUIs such as "WaterRoof" and "NoobProof" are available that may help
you in the process.

<P>

<P>
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Filippo Spiga
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