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

<UL>
<LI><A NAME="tex2html294"
  HREF="node14.html#SECTION00037100000000000000">2.7.1 All architectures</A>
<LI><A NAME="tex2html295"
  HREF="node14.html#SECTION00037200000000000000">2.7.2 Cray XE and XT machines</A>
<LI><A NAME="tex2html296"
  HREF="node14.html#SECTION00037300000000000000">2.7.3 IBM AIX</A>
<LI><A NAME="tex2html297"
  HREF="node14.html#SECTION00037400000000000000">2.7.4 IBM BlueGene</A>
<LI><A NAME="tex2html298"
  HREF="node14.html#SECTION00037500000000000000">2.7.5 Linux PC</A>
<UL>
<LI><A NAME="tex2html299"
  HREF="node14.html#SECTION00037510000000000000">2.7.5.1 Linux PCs with Portland compiler (pgf90)</A>
<LI><A NAME="tex2html300"
  HREF="node14.html#SECTION00037520000000000000">2.7.5.2 Linux PCs with Pathscale compiler</A>
<LI><A NAME="tex2html301"
  HREF="node14.html#SECTION00037530000000000000">2.7.5.3 Linux PCs with gfortran</A>
<LI><A NAME="tex2html302"
  HREF="node14.html#SECTION00037540000000000000">2.7.5.4 Linux PCs with g95</A>
<LI><A NAME="tex2html303"
  HREF="node14.html#SECTION00037550000000000000">2.7.5.5 Linux PCs with Sun Studio compiler</A>
<LI><A NAME="tex2html304"
  HREF="node14.html#SECTION00037560000000000000">2.7.5.6 Linux PCs with AMD Open64 suite</A>
<LI><A NAME="tex2html305"
  HREF="node14.html#SECTION00037570000000000000">2.7.5.7 Linux PCs with Intel compiler (ifort)</A>
<LI><A NAME="tex2html306"
  HREF="node14.html#SECTION00037580000000000000">2.7.5.8 Linux PCs with MKL libraries</A>
<LI><A NAME="tex2html307"
  HREF="node14.html#SECTION00037590000000000000">2.7.5.9 Linux PCs with ACML libraries</A>
</UL>
<BR>
<LI><A NAME="tex2html308"
  HREF="node14.html#SECTION00037600000000000000">2.7.6 Linux PC clusters with MPI</A>
<LI><A NAME="tex2html309"
  HREF="node14.html#SECTION00037700000000000000">2.7.7 Intel Mac OS X</A>
<UL>
<LI><A NAME="tex2html310"
  HREF="node14.html#SECTION00037710000000000000">2.7.7.1 Intel Mac OS X with ifort</A>
<LI><A NAME="tex2html311"
  HREF="node14.html#SECTION00037720000000000000">2.7.7.2 Intel Mac OS X 10.4 with g95 and gfortran</A>
<LI><A NAME="tex2html312"
  HREF="node14.html#SECTION00037730000000000000">2.7.7.3 Detailed installation instructions for Mac OS X 10.6</A>
<LI><A NAME="tex2html313"
  HREF="node14.html#SECTION00037740000000000000">2.7.7.4 Compilation with GNU compilers</A>
<LI><A NAME="tex2html314"
  HREF="node14.html#SECTION00037750000000000000">2.7.7.5 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-95 and C compilers are needed in order
to compile Q<SMALL>UANTUM </SMALL>ESPRESSO. Most ``Fortran-90'' compilers actually
implement the Fortran-95 standard, but older versions 
may not be Fortran-95 compliant. Moreover, 
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 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 
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 Cray XE and XT machines</A>
</H3>

<P>
For Cray XE machines:
<PRE>
$ module swap PrgEnv-cray PrgEnv-pgi
$ ./configure --enable-openmp --enable-parallel --with-scalapack
$ vim make.sys
</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="SECTION00037300000000000000">
2.7.3 IBM AIX</A>
</H3>

<P>
v.4.3.1 of the CP code, Wannier-function dynamics, crashes with
``segmentation violation'' on some AIX v.6 machines.
Workaround: compile it with <TT>mpxlf95</TT> instead of 
<TT>mpxlf90</TT>. (Info by Roberto Scipioni, June 2011)

<P>
On IBM machines with ESSL libraries installed, there is a 
potential conflict between a few LAPACK routines that are also part of ESSL, 
but with a different calling sequence. The appearance of run-time errors like <EM>    ON ENTRY TO ZHPEV  PARAMETER NUMBER  1 HAD AN ILLEGAL VALUE</EM>
is a signal that you are calling the bad routine. If you have defined 
<TT>-D__ESSL</TT> you should load ESSL before LAPACK: see
variable LAPACK_LIBS in make.sys.

<P>

<H3><A NAME="SECTION00037400000000000000">
2.7.4 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="SECTION00037500000000000000">
2.7.5 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 the following compilers are supported by <TT>configure</TT>:
Intel (ifort), Portland (pgf90), gfortran, g95, Pathscale (pathf95), 
Sun Studio (sunf95),  AMD Open64 (openf95). The ordering approximately
reflects the quality of support. Both Intel MKL and AMD acml mathematical
libraries are supported. Some combinations of compilers and of libraries
may however require manual editing of <TT>make.sys</TT>.

<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>
If you get errors like <EM>IPO Error: unresolved : __svml_cos2</EM>
at the linking stage, your compiler is optimized to use the SSE
version of sine, cosine etc. contained in the SVML library. Append
<TT>-lsvml</TT> to the list of libraries in your <TT>make.sys</TT> file (info by Axel
Kohlmeyer, oct.2007). 

<P>

<H4><A NAME="SECTION00037510000000000000">
2.7.5.1 Linux PCs with Portland compiler (pgf90)</A>
</H4>

<P>
Q<SMALL>UANTUM </SMALL>ESPRESSO does not work reliably, or not at all, with many old
versions (&lt; 6.1) of the Portland Group compiler (pgf90).
 Use the latest version of each 
release of the compiler, with patches if available (see
the Portland Group web site, <TT>http://www.pgroup.com/</TT>).

<P>

<H4><A NAME="SECTION00037520000000000000">
2.7.5.2 Linux PCs with Pathscale compiler</A>
</H4>

<P>
Version 2.99 of the Pathscale EKO compiler (web site
<TT>http://www.pathscale.com/</TT>)
works and is recognized by
<TT>configure</TT>, but the preprocessing command, <TT>pathcc -E</TT>,
causes a mysterious error in compilation of iotk and should be replaced by
<PRE>
   /lib/cpp -P --traditional
</PRE>
The MVAPICH parallel environment with Pathscale compilers also works
(info by Paolo Giannozzi, July 2008). 

<P>
Version 3.1 and version 4 (open source!) of the Pathscale EKO compiler
also 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="SECTION00037530000000000000">
2.7.5.3 Linux PCs with gfortran</A>
</H4>

<P>
Old gfortran 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). Recent versions should be fine.

<P>
If you experience problems in reading files produced by previous versions
of Q<SMALL>UANTUM </SMALL>ESPRESSO: ``gfortran used 64-bit record markers to allow writing of records 
larger than 2 GB. Before with 32-bit record markers only records &lt;2GB 
could be written. However, this caused problems with older files and 
inter-compiler operability. This was solved in GCC 4.2 by using 32-bit 
record markers but such that one can still store &gt;2GB records (following 
the implementation of Intel). Thus this issue should be gone. See 4.2 
release notes (item ``Fortran") at 
<TT>http://gcc.gnu.org/gcc-4.2/changes.html</TT>."
(Info by Tobias Burnus, March 2010).

<P>
``Using gfortran v.4.4 (after May 27, 2009) and 4.5 (after May 5, 2009) can 
produce wrong results, unless the environment variable
GFORTRAN_UNBUFFERED_ALL=1 is set. Newer 4.4/4.5 versions
(later than April 2010) should be OK. See
<BR><TT>http://gcc.gnu.org/bugzilla/show_bug.cgi?id=43551</TT>."
(Info by Tobias Burnus, March 2010).

<P>

<H4><A NAME="SECTION00037540000000000000">
2.7.5.4 Linux PCs with g95</A>
</H4>

<P>
g95 v.0.91 and later versions (<TT>http://www.g95.org</TT>) work. 
The executables that produce are however slower (let us say 20% or so) 
that those produced by gfortran, which in turn are slower 
(by another 20% or so) than those produced by ifort.

<P>

<H4><A NAME="SECTION00037550000000000000">
2.7.5.5 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="SECTION00037560000000000000">
2.7.5.6 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.sys. "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="SECTION00037570000000000000">
2.7.5.7 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 seem to produce the faster executables, 
at least on Intel CPUs, but not all versions work as expected.
ifort versions &lt; 9.1 are not recommended, due to the presence of subtle 
and insidious bugs. 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>, 
showing up in recent versions, can be safely ignored. Warnings on
"bad preprocessing option" when compiling iotk
and complains about ``recommanded formats''
should also be ignored.

<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). Release 12.0.2 seems to work and to produce faster executables
than previous versions on 64-bit CPUs (info by P. Giannozzi, March 2011).

<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>
<B>ifort v.10</B>: On 64-bit AMD CPUs, at least some versions of ifort 10.1 
miscompile subroutine <TT>write_rho_xml</TT> in 
<TT>Module/xml_io_base.f90</TT> with -O2
optimization. Using -O1 instead solves the problem (info by Carlo
Cavazzoni, March 2008). 

<P>
"The intel compiler version 10.1.008 miscompiles a lot of codes (I have proof 
for CP2K and CPMD) and needs to be updated in any case" (info by Axel
Kohlmeyer, May 2008).

<P>
<B>ifort v.9</B>: The latest (July 2006) 32-bit version of ifort 9.1
works. Earlier versions yielded <EM>Compiler Internal Error</EM>.

<P>

<H4><A NAME="SECTION00037580000000000000">
2.7.5.8 Linux PCs with MKL libraries</A>
</H4>
On Intel CPUs it is very convenient to use Intel MKL libraries. They can be
also used for AMD CPU, selecting the appropriate machine-optimized
libraries, and also together with non-Intel compilers. Note however
that recent versions of MKL (10.2 and following) do not perform
well on AMD machines.

<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>
MKL contains optimized FFT routines and a FFTW interface, to be separately
compiled. For 64-bit Intel Core2 processors, they are slightly faster than 
FFTW (MKL v.10, FFTW v.3 fortran interface, reported by P. Giannozzi,
November 2008). 

<P>
For parallel (MPI) execution on multiprocessor (SMP) machines, set the
environmental 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>

<H4><A NAME="SECTION00037590000000000000">
2.7.5.9 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="SECTION00037600000000000000"></A>
<A NAME="SubSec:LinuxPCMPI"></A>
<BR>
2.7.6 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-95 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. You may have to
recompile MPI libraries: not all MPI installations contain support for
the fortran-90 compiler of your choice (or for any fortran-90 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="node17.html#SubSec:para">3.2</A>.

<P>
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="#SubSec:badpara"><IMG  ALIGN="BOTTOM" BORDER="1" ALT="[*]" SRC="crossref.png"></A>.

<P>

<H3><A NAME="SECTION00037700000000000000">
2.7.7 Intel Mac OS X</A>
</H3>

<P>
Newer Mac OS-X machines (10.4 and later) with Intel CPUs are supported 
by <TT>configure</TT>,
with gcc4+g95, gfortran, and the Intel compiler ifort with MKL libraries.
Parallel compilation with OpenMPI also works.

<P>

<H4><A NAME="SECTION00037710000000000000">
2.7.7.1 Intel Mac OS X with ifort</A>
</H4>

<P>
"Uninstall darwin ports, fink and developer tools. The presence of all of
those at the same time generates many spooky events in the compilation
procedure.  I installed just the developer tools from apple, the intel
fortran compiler and everything went on great" (Info by Riccardo Sabatini, 
Nov. 2007)

<P>

<H4><A NAME="SECTION00037720000000000000">
2.7.7.2 Intel Mac OS X 10.4 with g95 and gfortran</A>
</H4>

<P>
An updated version of Developer Tools (XCode 2.4.1 or 2.5), that can be 
downloaded from Apple, may be needed. Some tests fails with mysterious 
errors, that disappear if
fortran BLAS are linked instead of system Atlas libraries. Use: 
<PRE>
   BLAS_LIBS_SWITCH = internal
   BLAS_LIBS      = /path/to/espresso/BLAS/blas.a -latlas
</PRE>
(Info by Paolo Giannozzi, jan.2008, updated April 2010)

<P>

<H4><A NAME="SECTION00037730000000000000">
2.7.7.3 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="SECTION00037740000000000000">
2.7.7.4 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="SECTION00037750000000000000">
2.7.7.5 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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