WARNING: Number of MPI greater than GPUs / Floating point exception

[mirix]

Hello,

I am still struggling to compile CP2K in my laptop both with MPI and CUDA 
support. 

The laptop has a Core2 Duo processor, 4GB RAM and a Nvidia 8800M GLX card.

The operating system is 64-bit Debian Sid. I am using GCC 4.6 (except for 
NVCC, in which case I have to use GCC 4.4 because I am using CUDA version 
4.0).

I am able to compile the code. Before adding -D__DBCSR_CUDA, -lhwloc and 
-lstdc++ I was even able to run a few tests successfully. Most of them 
would not run, though.

After adding those options, the code still compiles but I get the following 
error:

---------------------
mirix at sopranix:~/Software/cp2k/cp2k-2.3/tests/QS$ 
/home/mirix/Software/cp2k/cp2k-2.3/exe/Linux-x86-64-GNU-OpenMPI-CUDA/cp2k.popt
WARNING: Number of MPI greater than GPUs

Floating point exception
---------------------

This is my arch file:

PERL     = perl
CC       = mpicc
CPP      = cpp
NVCC     = /usr/local/cuda/bin/nvcc
FC       = mpif90
LD       = mpif90
AR       = ar -r
#DFLAGS   = -D__GFORTRAN -D__CUDA -D__FFTSG -D__FFTSGL -D__FFTW3 
-D__CUBLASDP
#DFLAGS   = -D__GFORTRAN -D__CUDA -D__FFTSG -D__FFTSGL -D__FFTW3 
-D__CUBLASDP -DDGEMM=cuda_d_gemm -Ddgemm=cuda_d_gemm -DDSYMM=gpu_d_symm 
-Ddsymm=gpu_d_symm
#DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTSGL -D__FFTW3 -D__CUBLASDP 
-DDGEMM=cuda_d_gemm -Ddgemm=cuda_d_gemm -DDSYMM=gpu_d_symm 
-Ddsymm=gpu_d_symm -DDSYEVD=cuda_lapack_dsyevd  -Ddsyevd=cuda_lapack_dsyevd

DFLAGSBASE   = -D__GFORTRAN -D__PARALLEL -D__SCALAPACK -D__BLACS -D__FFTW3 
-D__LIBINT -D__CUDAPW -D__FFTCU -D__FFTSGL -D__FFTSG -D__CUBLASDP 
-D__DBCSR_CUDA -D__FFTW3 -D__HWLOC
DFLAGS   = $(DFLAGSBASE) -DDGEMM=cuda_d_gemm -Ddgemm=cuda_d_gemm 
-DDSYMM=gpu_d_symm -Ddsymm=gpu_d_symm

DFLAGSCU  = $(DFLAGSBASE) -Dcpu_d_gemm=dgemm -Dcpu_d_symm=dsymm

#DFLAGS   = -D__GFORTRAN -D__CUDA -D__FFTCU -D__FFTSGL -D__FFTSG
#DFLAGSCU = $(DFLAGS)

HWTOPO = yes
HWLOC = /usr/include/hwloc/
CFLAGS   =  $(DFLAGS) -I$(HWLOC) -O2 
CPPFLAGS = -traditional -C $(DFLAGS) -P
CPPFLAGSCU = -traditional -C $(DFLAGSCU) -P
NVFLAGS     = $(DFLAGS) -gencode=arch=compute_11,code=\"sm_11,compute_11\" 
--compiler-bindir=/usr/local/cuda/bin/gcc
FCFLAGS  = $(DFLAGS) -O2
FCFLAGSCU = $(DFLAGSCU) -O2
LDFLAGS  = $(FCFLAGS)
CUDAPATH = /usr/local/cuda/lib64
ATLASPATH = /usr/local/atlas/lib
LIBINTPATH = /usr/local/libint/1.1.4-stable/lib
LIBS     = -L$(CUDAPATH)/libcudart.so\
$(CUDAPATH)/libcufft.so\
$(CUDAPATH)/libcublas.so\
/home/mirix/Software/cp2k/scalapack-2.0.2/libscalapack.a\
$(ATLASPATH)/liblapack.a\
$(ATLASPATH)/libcblas.a\
$(ATLASPATH)/libf77blas.a\
$(ATLASPATH)/libptcblas.a\
$(ATLASPATH)/libptf77blas.a\
$(ATLASPATH)/libatlas.a\
$(LIBINTPATH)/libderiv.a\
$(LIBINTPATH)/libr12.a\
$(LIBINTPATH)/libint.a\
/usr/local/lib/libfftw3f.a\
/usr/lib/x86_64-linux-gnu/libhwloc.so.5.0.1 -lhwloc\
-lstdc++ -lpthread -lrt

OBJECTS_ARCHITECTURE = machine_gfortran.o

cuda_cublas.o: cuda_cublas.F
    $(CPP) $(CPPFLAGSCU) $< > cuda_cublas.f90
    $(FC) -c $(FCFLAGSCU) cuda_cublas.f90



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20121214/20bf98dc/attachment.htm>