[Pw_forum] Installing QE 4.0.5 on Mac Pro

[Cristian Degli Esposti Boschi]

 >That sounds strange... even if you build a mpif90 on top of gfortran
 >(for instance using
 >OpenMPI), you should call it as "mpif90", not "gfortran".

 >I don't understand if you want to compile a serial or a parallel
 >version. If you want a serial one, use
 >./configure --disable-parallel

Ok, in order to simplify the matter I restrict myself to a serial build.
Therefore I pass the option "--disable-parallel" to configure and make 
all (using gfortran). I tried both pw.x and cp.x with two input files
for a rather demanding system; on a 2 Xeon Quad-core machine with 16 GB 
RAM very similar to the Mac Pro they are successfully processed while
on the Mac Pro I get:


pw.x(45534) malloc: *** mmap(size=1093816320) failed (error code=12)
*** error: can't allocate region
*** set a breakpoint in malloc_error_break to debug
Operating system error: Cannot allocate memory
Out of memory

or

cp.x(45549) malloc: *** mmap(size=546910208) failed (error code=12)
*** error: can't allocate region
*** set a breakpoint in malloc_error_break to debug
Operating system error: Cannot allocate memory
Out of memory


One thing I noticed in the file config.log is that there
is no malloc usability. The file malloc.h is not found, so
I made a symlink from /usr/include/malloc/malloc.h to
/usr/include/malloc.h. But then the same problem happens
with "struct mallinfo.arena"...

Is there a special variable to pass to locate correctly
the (malloc related) include files under OSX Leopard 10.5, maybe when I 
use the compilers from FINK?


Finally, what I meant about 64-bit compiling is that I used to get
similar errors with a C++ code of mine:

dmrgcc(45305) malloc: *** mmap(size=487424) failed (error code=12)
*** error: can't allocate region
*** set a breakpoint in malloc_error_break to debug
terminate called after throwing an instance of 'std::bad_alloc'
   what():  St9bad_alloc

In that case I solved the problem by passing explicitely the
option "-m64" to the compilers; with Quantum Espresso the configure step 
with -m64 is ok, but when I make all I get several errors in fft_scalar.


Thanks for your time. Cristian
-- 
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Cristian Degli Esposti Boschi
CNR, CNISM, Unita' di Ricerca di Bologna, c/o
Dipartimento di Fisica, Universita' di Bologna
viale Berti-Pichat, 6/2, 40127, Bologna, Italia
tel. ++39 051 2095114   fax ++39 051 2095113
e-mail: cristian.degliesposti -AT- unibo.it
web:    http://www.df.unibo.it/fismat/theory
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