[Pw_forum] error with open64 compilers

2012-06-06 Thread Arturo
Thanks for your advice!! I will test ifort and I will compare it with Open64 or pathscale. Regards Arturo El 05/06/12 11:40, GAO Zhe escribi?: > For AMD machine, you can try the free version of PathScale, which > shares the libraries with open64, but has better compability. > Further, according

[Pw_forum] error with open64 compilers

2012-06-05 Thread GAO Zhe
For AMD machine, you can try the free version of PathScale, which shares the libraries with open64, but has better compability. Further, according to my experience, even for AMD machine, ifort+MKL provide higher efficiency than PathSclae+AMCL, this may be mainly caused by the missing of FFTW (on

[Pw_forum] error with open64 compilers

2012-06-05 Thread Arturo
Thanks for the info, I will contact with the user to see which modules she needs. And I think I will try with other compilers, despite I would like to use open64. If you get any improvement with your tests, please keep me inform !! Regards Arturo El 05/06/12 11:42, Lorenzo Paulatto escribi?: >

[Pw_forum] error with open64 compilers

2012-06-05 Thread Lorenzo Paulatto
On Tue, Jun 5, 2012 at 11:11 AM, Arturo wrote: > ** > The intrinsic call "MAXVAL" is not valid in a specification expression. > Well, I don't know how to fix it that easily, but this is part of the Car-Parrinello code, so unless you used make in some funny way, you should already be able to u

[Pw_forum] error with open64 compilers

2012-06-05 Thread Arturo
Now it gives me another error: mpif90 -O3 -ftpp -D__FFTW -D__MPI -D__PARA -I../include -I../../iotk/src -I../../Modules -I. -c cglib.f90 real(DP) :: zmat( MAXVAL(descla(:)%nrlx), nudx, nspin ), fmat( MAXVAL(descla(:)%nrlx), nudx, nspin ), fdiag( nx ) ^ openf95-87

[Pw_forum] error with open64 compilers

2012-06-05 Thread Paolo Giannozzi
On Jun 5, 2012, at 10:32 , Arturo wrote: >real(dp), parameter :: fac = (1.d0/2.d0) * 1.d0/(3.d0*pi**2)** > (1.d0/3.d0) > > ^ > openf95-206 openf90: ERROR DO_RDG, File = elf.f90, Line = 203, > Column = 70 >The expon

[Pw_forum] error with open64 compilers

2012-06-05 Thread Lorenzo Paulatto
On Tue, Jun 5, 2012 at 10:32 AM, Arturo wrote: > real(dp), parameter :: fac = (1.d0/2.d0) * 1.d0/(3.d0*pi**2)**(1.d0/3.d0) > ^ > openf95-206 openf90: ERROR DO_RDG, File = elf.f90, Line = 203, Column = 70 > The exponent in a

[Pw_forum] error with open64 compilers

2012-06-05 Thread Arturo
Hi, I'm trying to compile espresso with open64 compiler and I get this error: mpif90 -O3 -ftpp -D__FFTW -D__MPI -D__PARA -I../include -I../../iotk/src -I../../Modules -I../../PW/src -I. -c elf.f90 real(dp), parameter :: fac = (1.d0/2.d0) * 1.d0/(3.d0*pi**2)**(1.d0/3.d0)