Re: [SIESTA-L] LAM SCALAPACK
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+0x54): In function `descinit_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pxerbla.o)(.text+0x41): In function `pxerbla_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pdpotrf.o)(.text+0x60): In function `pdpotrf_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pbdtrnv.o)(.text+0xa1): In function `pbdtrnv_': : undefined reference to `blacs_gridinfo__' ... I compiled BLACS, SCALAPACK, and SIESTA using lam mpif77 -O3 -Bstatic. It looks like the names are not compatible. Anyone have a successful story with LAM? By the way, did anyone test the scaling of SIESTA for Gamma point only SCF calculations? Many thanks! Cherry Hi Cherry, First of all, I think you should stop trying to compile Siesta using LAM-MPI which actually an old and unmaintained version of OpenMPI (just check the web site http://www.lam-mpi.org/) therefore change for OpenMPI or Mpich instead, this will be a first step forward in your compilation process to avoid trouble during your next parallel jobs. Furthermore to get help for the compilation process itself you can read the small howto attached to this email. Best Sébastien Le Roux -- Sébastien Le Roux Doctorant LPMC-Institut C. Gerhardt UMR 5253 CC003 Université de Montpellier II Place E. Bataillon 34095 MONTPELLIER cedex 05 E mail: [EMAIL PROTECTED] Tel: +33(0)4.67.14.41.21 Fax: +33(0)4.67.14.41.90 mini-howto.pdf Description: Adobe PDF document
Re: [SIESTA-L] LAM SCALAPACK
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 should always test your own compiled BLACS before using it (there is TESTING directory inside BLACS).By the way, using agressive optimization like -O3 never helps numerical libraries, -O2 is more appropriate.sergey03.06.07, 13:20, Vasilii Artyukhov :It seems to me that whichever MPI youre 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 doesnt help. I compiled everything with mpif77 -O3 (SIESTA, BLACS, andSCALAPACK), 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 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 func tion `rdiag_: : undefined reference to `blacs_gridinit__ libscalapack.a(descinit.o)(.text+0x54): In function `descinit_: : undefined reference to `blacs_gridinfo__ libscalapack.a(pxerbla.o)(.text+0x41): In function `pxerbla_: : undefined reference to `blacs_gridinfo__ libscalapack.a(pdpotrf.o)(.text+0x60): In function `pdpotrf_: : undefined reference to `blacs_gridinfo__ libscalapack.a(pbdtrnv.o)(.text+0xa1): In function `pbdtrnv_: : undefined reference to `blacs_gridinfo__ ... I compiled BLACS, SCALAPACK, and SIESTA using lam mpif77 -O3 -Bstatic. It looks like the names are not compatible. Anyone have a successful story with LAM? By< br /> the way, did anyone test the scaling of SIESTA for Gamma point only SCF calculations? Many thanks! Cherry Moody friends. Drama queens. Your life? Nope! - their life, your story. Play Sims Stories at Yahoo! Games. http://sims.yahoo.com/ -- Yurko Natanzon PhD Student Henryk Niewodniczański Institute of Nuclear Physics Polish Academy of Sciences ul. Radzikowskiego 152, 31-342 Krakw, Poland Email: [EMAIL PROTECTED], [EMAIL PROTECTED]Pinpoint customers who are looking for what you sell.http://searchmarketing.yahoo.com/
Re: [SIESTA-L] LAM SCALAPACK
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 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 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 function `rdiag_': : undefined reference to `blacs_gridinit__' libscalapack.a(descinit.o)(.text+0x54): In function `descinit_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pxerbla.o)(.text+0x41): In function `pxerbla_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pdpotrf.o)(.text+0x60): In function `pdpotrf_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pbdtrnv.o)(.text+0xa1): In function `pbdtrnv_': : undefined reference to `blacs_gridinfo__' ... I compiled BLACS, SCALAPACK, and SIESTA using lam mpif77 -O3 -Bstatic. It looks like the names are not compatible. Anyone have a successful story with LAM? By the way, did anyone test the scaling of SIESTA for Gamma point only SCF calculations? Many thanks! Cherry Moody friends. Drama queens. Your life? Nope! - their life, your story. Play Sims Stories at Yahoo! Games. http://sims.yahoo.com/ -- Yurko Natanzon PhD Student Henryk Niewodniczański Institute of Nuclear Physics Polish Academy of Sciences ul. Radzikowskiego 152, 31-342 Kraków, Poland Email: [EMAIL PROTECTED], [EMAIL PROTECTED] Pinpoint customers who are looking for what you sell. http://searchmarketing.yahoo.com/
Re: [SIESTA-L] LAM SCALAPACK
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 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 function `rdiag_': : undefined reference to `blacs_gridinit__' libscalapack.a(descinit.o)(.text+0x54): In function `descinit_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pxerbla.o)(.text+0x41): In function `pxerbla_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pdpotrf.o)(.text+0x60): In function `pdpotrf_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pbdtrnv.o)(.text+0xa1): In function `pbdtrnv_': : undefined reference to `blacs_gridinfo__' ... I compiled BLACS, SCALAPACK, and SIESTA using lam mpif77 -O3 -Bstatic. It looks like the names are not compatible. Anyone have a successful story with LAM? By the way, did anyone test the scaling of SIESTA for Gamma point only SCF calculations? Many thanks! Cherry Moody friends. Drama queens. Your life? Nope! - their life, your story. Play Sims Stories at Yahoo! Games. http://sims.yahoo.com/ -- Yurko Natanzon PhD Student Henryk NiewodniczaÅski Institute of Nuclear Physics Polish Academy of Sciences ul. Radzikowskiego 152, 31-342 Kraków, Poland Email: [EMAIL PROTECTED], [EMAIL PROTECTED] Pinpoint customers who are looking for what you sell. http://searchmarketing.yahoo.com/
Re: [SIESTA-L] LAM SCALAPACK
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 function `rdiag_': : undefined reference to `blacs_gridinit__' libscalapack.a(descinit.o)(.text+0x54): In function `descinit_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pxerbla.o)(.text+0x41): In function `pxerbla_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pdpotrf.o)(.text+0x60): In function `pdpotrf_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pbdtrnv.o)(.text+0xa1): In function `pbdtrnv_': : undefined reference to `blacs_gridinfo__' ... I compiled BLACS, SCALAPACK, and SIESTA using lam mpif77 -O3 -Bstatic. It looks like the names are not compatible. Anyone have a successful story with LAM? By the way, did anyone test the scaling of SIESTA for Gamma point only SCF calculations? Many thanks! Cherry Moody friends. Drama queens. Your life? Nope! - their life, your story. Play Sims Stories at Yahoo! Games. http://sims.yahoo.com/ -- Yurko Natanzon PhD Student Henryk Niewodniczański Institute of Nuclear Physics Polish Academy of Sciences ul. Radzikowskiego 152, 31-342 Kraków, Poland Email: [EMAIL PROTECTED], [EMAIL PROTECTED]
[SIESTA-L] LAM SCALAPACK
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_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pxerbla.o)(.text+0x41): In function `pxerbla_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pdpotrf.o)(.text+0x60): In function `pdpotrf_': : undefined reference to `blacs_gridinfo__' libscalapack.a(pbdtrnv.o)(.text+0xa1): In function `pbdtrnv_': : undefined reference to `blacs_gridinfo__' ... I compiled BLACS, SCALAPACK, and SIESTA using lam mpif77 -O3 -Bstatic. It looks like the names are not compatible. Anyone have a successful story with LAM? By the way, did anyone test the scaling of SIESTA for Gamma point only SCF calculations? Many thanks! Cherry Moody friends. Drama queens. Your life? Nope! - their life, your story. Play Sims Stories at Yahoo! Games. http://sims.yahoo.com/
