[Pw_forum] Installing QE 4.0.5 on Mac Pro
Cristian Degli Esposti Boschi
cristian.degliesposti at unibo.it
Tue May 19 14:44:29 CEST 2009
Dear all,
I'm having some problems in installing QE 4.0.5 on a
Mac Pro, with 2 Intel Xeon Quad Core CPUs, 16 GB RAM,
Mac OS X v10.5 Leopard. If I configure with no other options
I get the following error:
"Unfortunately, this installation of Open MPI was not compiled with
Fortran 90 support. As such, the mpif90 compiler is non-functional."
The GNU compiler, gfortran in particular, are installed in the
system via the FINK package.
If I pass the option MPIF90="gfortran", I can make all.
However when I try to use the CP code I get
"Fortran runtime error: Attempt to allocate negative amount of memory.
Possible integer overflow"
I reduced considerably the number of the points in the grid
for pseudopotentials and then I get
"cp.x(32686) 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"
From the configure log I see that
"checking size of int *... 4"
Hence, I recalled that for some other applications I had to pass
explicitly the flag for 64-bit compilation. So I tried:
sudo ./configure MPIF90="gfortran" CFLAGS="-m64" FFLAGS="-m64"
F90FLAGS="-m64" CPPFLAGS="-m64" LDFLAGS="-m64"
and as a result:
"checking size of int *... 8"
But, then when I issue sudo make all:
"fft_scalar.f90:61.35:
INTEGER, PARAMETER :: lwork = 2 * nfftx
1
Error: Symbol 'lwork' at (1) already has basic type of INTEGER"
I have seen in the user guide that using 64-bit executables
is not particularly wise. Does anyone have suggestions on
how to proceed in order to have cp.x working? Do I have to
inspect make.sys?
Thanks for your time. Cristian
--
___________________________________________________
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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