[CP2K-user] Error in compiling cp2k 8.1

[TIAN Hao]

Dear all,


I used the toolchain to set the environment, and the result (attached as toolchain.log) looks fine. Errors appear when compiling cp2k-8.1 with intel 18.0.5. Here is part of them extracted from the make.log (attached):


cmp: CP2K/cp2k-8.1_t0608/cp2k-8.1/obj/git-ref: No such file or directory
cp2k-8.1/src/grid/ref/grid_ref_task_list.c(446): error #3656: variable "old_transpose" may be used before its value is set  store_hab(old_ibasis, old_jbasis, old_iset, old_jset, old_transpose,                                                              
compilation aborted for CP2K/cp2k-8.1_t0608/cp2k-8.1/src/grid/ref/grid_ref_task_list.c (code 2)
make[3]: *** [grid_ref_task_list.o] Error 2
make[3]: *** Waiting for unfinished jobs....


cp2k-8.1/src/grid/ref/../common/grid_prepare_pab.h(349): error #279: controlling expression is constant assert
cp2k-8.1_t0608/cp2k-8.1/src/grid/ref/grid_ref_prepare_pab.c(32): error #188: enumerated type mixed with another type const
cp2k-8.1/src/grid/cpu/grid_context_cpu.c(24): error #191: type qualifier is meaningless on cast type
cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c(746): error #167: argument of type "double (*)[3]" is incompatible with parameter of type "const double (*)[3]"


compilation aborted for /CP2K/cp2k-8.1_t0608/cp2k-8.1/src/grid/cpu/grid_integrate_dgemm.c (code 2)
compilation aborted for /CP2K/cp2k-8.1_t0608/cp2k-8.1/src/grid/cpu/grid_collocate_dgemm.c (code 2)
make[3]: *** [grid_integrate_dgemm.o] Error 2
make[3]: *** [grid_collocate_dgemm.o] Error 2
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make: *** [all] Error 2


My arch file is automatically generated with first few lines as following:


CC          = icc
CXX         = icpc
AR          = ar -r
FC          = mpiifort
LD          = mpiifort
#
DFLAGS      = -D__LIBXSMM  -D__parallel  -D__MKL -D__FFTW3  -D__LIBINT -D__LIBXC -D__COSMA -D__ELPA -D__LIBPEXSI -D__PLUMED2 -D__GSL -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__SPFFT -D__SIRIUS  
#
WFLAGS      =   
#
FCDEBFLAGS  =  


Could you give me advice to fix the problem? Thanks!!


Best regards,
Billy Tian
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