Compilation errors with CP2K (CUDA)

Ole Schütt o... at schuett.name
Thu Sep 18 10:53:02 CEST 2014


Hi Abhishek,

I suspect your problem is caused by a bug in ifort. Can you try a newer 
version of ifort, or gfortran?

-Ole

dbcsr_memtype_type(pool=Null())

On Wednesday, September 17, 2014 10:10:51 PM UTC+2, Abhishek Bagusetty 
wrote:
>
> Hi Users and Developers,
>
> I am trying to compile and build a CUDA build of CP2K and end up getting 
> these annoying errors.
>
>
>
>
>
>
>
>
> *dbcsr_types.f90(275): error #7747: Invalid parameter expression.   
> [DBCSR_MEMTYPE_TYPE]  TYPE(dbcsr_memtype_type), PARAMETER :: 
> dbcsr_memtype_default = 
> dbcsr_memtype_type(pool=Null())-----------------------------------------------------------------^dbcsr_types.f90(276): 
> error #7747: Invalid parameter expression.   [DBCSR_MEMTYPE_TYPE]  
> TYPE(dbcsr_memtype_type), PARAMETER :: dbcsr_memtype_MPI = 
> dbcsr_memtype_type(mpi=.TRUE., 
> pool=Null())-------------------------------------------------------------^dbcsr_types.f90(303): 
> error #7367: The data value NULL() can only be assigned to a Fortran 
> POINTER.     TYPE(dbcsr_memtype_type)                 :: memory_type = 
> dbcsr_memtype_default*
>
> Here is the ARCH (Linux-x86-64-cuda.sopt) file that I used.
>
> PERL     = perl
> CC       = gcc
> CPP      = cpp
> NVCC     = nvcc
> FC       = ifort -FR
> LD       = ifort -i-static -openmp
> AR       = ar -r
> DFLAGS   = -D__INTEL -D__FFTSG -D__FFTW3 -D__FFTMKL -D__PW_CUDA 
> -D__DBCSR_CUDA -D__SCALAPACK -D__BLACS
> CFLAGS   =  -O2
> CPPFLAGS = -traditional -C $(DFLAGS) -P -I/opt/intel/mkl/
> 10.2.5.035/include/fftw
> NVFLAGS  = $(DFLAGS) -g -arch sm_30
> FCFLAGS  = $(DFLAGS) -O2 -xW
> MKLPATH  = /opt/intel/mkl/10.2.5.035/lib/em64t/
> CUDAPATH = /usr/local/cuda/lib/
> LDFLAGS  = $(FCFLAGS)
> LIBS     = -L$(MKLPATH)\
>            $(MKLPATH)/libmkl_em64t.a\
>            $(MKLPATH)/libmkl_lapack.a\
>            $(MKLPATH)/libguide.a\
>            $(CUDAPATH)/libcudart.so\
>            $(CUDAPATH)/libcufft.so\
>            $(CUDAPATH)/libcublas.so\
>            /usr/lib64/libfftw3f.so.3\
>            -lpthread
>
> I am pretty sure that something might have gone wrong with the flags. It 
> would be great, if there are any pointers that can help me to fix this 
> issue. 
>
> Appreciate your time and effort.
>
> Thanks,
> Abhishek
>
>
> -----------------------------------------------------------------------------------------------------------
> Abhishek Bagusetty
> PhD Student, Computational Modeling & Simulation
> Center for Simulation and Modeling
> Department of Chemical & Petroleum Engineering
> University of Pittsburgh
> Pittsburgh, PA - 15261
> Office : 920 Benedum Hall
> Email : ab... at pitt.edu <javascript:>
>
> -----------------------------------------------------------------------------------------------------------
>
>
>
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