[Pw_forum] Installing QE 4.0.5 on Mac Pro

[Gabriele Sclauzero]

Dear Cristian

Cristian Degli Esposti Boschi wrote:
> 
> 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:

> 
> 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"...

As you pointed this out I checked my config.log and I see the same warning when compiling
with ifort/icc, but it seems to make no harm at the end. Maybe the problem is in the GCC 
compiler (I suppose you're using gcc, am I right?). Which version are you using?

I cannot afford very demanding calculation, since I've got Leopard on my laptop only. So
far I've tried a pw.x calculation which asks up to about 1GB or RAM and it seems to work
(for sure it does not crash).


> 
> 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:

So the problem might be in the c++ compiler, not the f90 one, as I was saying above (just
a guess). Can you recompile with another c compiler/version?

GS

> 
> 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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| Gabriele Sclauzero, PhD Student                  |
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