Compilation errors with CP2K (CUDA)

[Abhishek Bagusetty]

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
-----------------------------------------------------------------------------------------------------------


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140917/bdd4885e/attachment.htm>