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/