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I am trying out the latest MKL version with Siesta (4.0.2). However, I keep on getting
{ 0, 0}: On entry to PDSTEDC parameter number 10 had an illegal value ....
for 2018.2.046 and 2018.3.051. I am compiling and running on the same node in a for loop:
for v in 2017.7.065 2018.0.033 2018.1.038 2018.2.046 2018.3.051 do module purge module load intel/$v module load intel/$v.mkl module load intel/$v.mpi make clean make cd Tests/si64 make SIESTA="mpiexec -np $PBS_NP ../../../siesta" label=$v cd ../../ done
Note that only the last two are failing with the above error message.
The arch.make file is this:
SIESTA_ARCH=intel-mpi FC=mpiifort FFLAGS = -O2 -xHost -fp-model precise -prec-sqrt -prec-div \ -fimf-precision=high -ip -mp1 -fpp -heap-arrays 1024 -i4 \ -double-size 64 -real-size 32 \ -warn unused,truncated_source,uncalled,declarations,usage FFLAGS_SPECIAL= -O1 -xHost -ip -mp1 -fpp -heap-arrays 1024 -i4 \ -double-size 64 -real-size 32 -fp-model precise \ -warn unused,truncated_source,uncalled,declarations,usage DUMMY_FOX=--enable-dummy FFLAGS_DEBUG=-g -O0 -debug full -traceback -C LDFLAGS= -static-intel -static-libgcc RANLIB=ranlib FC_SERIAL=ifort # NETCDF_LIBS= NETCDF_INTERFACE= FPPFLAGS_CDF= MPI_INTERFACE=libmpi_f90.a MKL_INCLUDE=-I$(MKLROOT)/include/intel64/lp64 MPI_LIBS=-L$(I_MPI_ROOT)/intel64/lib -lmpi MKL_LIBS=$(MKLROOT)/lib/intel64 MPI_INCLUDE=-I$(I_MPI_ROOT)/intel64/include INCFLAGS=$(MPI_INCLUDE) $(MKL_INCLUDE) # FPPFLAGS_MPI=-DMPI -DMPI_TIMING -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DSIESTA__NO_MRRR ## NETCDF_LIBS= NETCDF_INTERFACE= ## LIBS= $(MPI_LIB) -mkl=parallel \ ${MKLROOT}/lib/intel64/libmkl_blas95_lp64.a \ ${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.a \ -Wl,--start-group \ ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a \ ${MKLROOT}/lib/intel64/libmkl_sequential.a \ ${MKLROOT}/lib/intel64/libmkl_core.a \ ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.a \ -Wl,--end-group -lstdc++ -lpthread -lm -ldl # SYS=nag FPPFLAGS= $(FPPFLAGS_CDF) $(FPPFLAGS_MPI) ## atom.o: atom.F $(FC) -c $(FFLAGS_SPECIAL) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $< state_analysis.o: state_analysis.F $(FC) -c $(FFLAGS_SPECIAL) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $< .F.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $< .f.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $< .F90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $< .f90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $<
I am running the test with 8 cores, and the architechture is: XeonE5-2665.
Thanks!
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thanks for report. We don't know about such problem. Which version of MKL do you use before?
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Bump issue!
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For future reference.
This has to do with Intel MKL trying to internally select the best 2D distribution (regardless of user request!).
Essentially this means that the workspace required is not as the documentation specifies since the used distribution is different.
I've been told it was fixed in 2019 and onwards, but I don't know for sure...
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