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
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