2007/6/3, Sergey Lisenkov <[EMAIL PROTECTED]>:
By the way, using agressive optimization like -O3 never helps numerical
libraries, -O2 is more appropriate.
Sounds very interesting, is there a specific reason?
Best regards,
Vasilii
Dear Sebastien,
I tried OpenMPI2.0 following your instructions, and it works. Thanks a lot!
However I found the scaling is very poor. In the test case, there are 12
k-points, and I used 1, 2 and 4 processors, and the timing is like this:
1p: 75 (seconds)
2p: 59
4p: 51
I think the k-point parallel
Cherry Y. Yates a écrit :
DEAR Developer,
Do you have any suggestions for compiling a parallel version of SIESTA using
LAM-MPI? I always got the following error messages:
rdiag.o(.text+0x2a77): In function `rdiag_':
: undefined reference to `blacs_gridinit__'
libscalapack.a(descinit.o)(.text+0x5
mpif77. I set F77FLAGS to -O2 -fno-second-underscore to compile BLACS. It helps
a bit. But I still have these errors. It looks like in cdiag.F, it calls
blacs_gridinfo__, but cannot find the double-scored one. I tried compile BLACS
with and without the second-underscore, but I got the same error me
Cherry, Which fortran compiler do you use? Vasilii is right, it looks like you compiled BLACS using incorrect settings (you can see double underscores in the end of BLACS subroutine, and only one in rdiag). This second underscore comes from BLACS settings (unless you are using g77 compiler). You sh
It seems to me that whichever MPI you're using is not to blame. Are you sure
that you use the correct Fortran/C name conventions? The BLACS distribution,
for instance, contains utilities to check the correct settings (in the
INSTALL directory).
2007/6/3, Cherry Y. Yates <[EMAIL PROTECTED]>:
It
It doesn't help. I compiled everything with mpif77 -O3 (SIESTA, BLACS, and
SCALAPACK), but I still got the same errors. Thanks,
Cherry
--- Yurko Natanzon <[EMAIL PROTECTED]> wrote:
> Try removing -Bstatic flag, it causes such errors on many compilers
>
> On 02/06/07, Cherry Y. Yates <[EMAIL PRO
Try removing -Bstatic flag, it causes such errors on many compilers
On 02/06/07, Cherry Y. Yates <[EMAIL PROTECTED]> wrote:
DEAR Developer,
Do you have any suggestions for compiling a parallel version of SIESTA using
LAM-MPI? I always got the following error messages:
rdiag.o(.text+0x2a77): In
DEAR Developer,
Do you have any suggestions for compiling a parallel version of SIESTA using
LAM-MPI? I always got the following error messages:
rdiag.o(.text+0x2a77): In function `rdiag_':
: undefined reference to `blacs_gridinit__'
libscalapack.a(descinit.o)(.text+0x54): In function `descinit_':
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