I am trying to install VASP 6.3.0 on Fujitsu A64FX processor
using Fujitsu Compiler (Fujitsu Dev. Studio 1.2.35 + Fujitsu MPI 1.2.35).
I have the following error during the compilation.
Your help would be highly appreciated.
Error message
Code: Select all
...
...
...
mpifrt -Kopenmp,simd_nouse_multiple_structures -X03 -Koptmsg=2 -Kfast -I(PATH_TO_MY_FFTW) -c ml_interface.f90
Fortran diagnostic messages: program name(ml_interface)
Module subprogram name(MACHINE_LEARNING_READER)
jwd1716i-s "ml_interface.f90", line 273, column 20: 'READ_TAG_REAL' already used as an internal subroutine name.
jwd1716i-s "ml_interface.f90", line 274, column 20: 'READ_TAG_INTEGER' already used as an internal subroutine name.
jwd1716i-s "ml_interface.f90", line 275, column 20: 'READ_TAG_LOGICAL' already used as an internal subroutine name.
jwd1716i-s "ml_interface.f90", line 279, column 20: 'READ_TAG_ARRAY_REAL' already used as an internal subroutine name.
jwd1716i-s "ml_interface.f90", line 280, column 20: 'READ_TAG_ARRAY_INTEGER' already used as an internal subroutine name.
jwd2516i-s "ml_interface.f90", line 330, column 15: Reference to 'READ_TAG' not consistent with any specific interface of the generic interface.
jwd2516i-s "ml_interface.f90", line 334, column 15: Reference to 'READ_TAG' not consistent with any specific interface of the generic interface.
jwd2516i-s "ml_interface.f90", line 337, column 15: Reference to 'READ_TAG' not consistent with any specific interface of the generic interface.
jwd2516i-s "ml_interface.f90", line 340, column 15: Reference to 'READ_TAG' not consistent with any specific interface of the generic interface.
jwd2516i-s "ml_interface.f90", line 343, column 15: Reference to 'READ_TAG' not consistent with any specific interface of the generic interface.
jwd2516i-s "ml_interface.f90", line 346, column 15: Reference to 'READ_TAG' not consistent with any specific interface of the generic interface.
...
...
...
(virtually no change from "makefile.include.fujitsu_a64fx_omp")
Code: Select all
# Default precompiler options
CPP_OPTIONS = -DHOST=\"FJ-A64FX\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Duse_bse_te \
-Dtbdyn \
-Dfock_dblbuf \
-D_OPENMP
CPP = cpp -P -traditional-cpp $(CPP_OPTIONS) $*$(FUFFIX) > $*$(SUFFIX)
# N.B.: to cross-compile for A64FX on X86_64 replace mpifrt, frt, fcc, and FCC
# by mpifrtpx, frtpx, fccpx, and FCCpx, respectively.
FC = mpifrt -Kopenmp,simd_nouse_multiple_structures -X03
FCL = mpifrt -Kopenmp,simd_nouse_multiple_structures
FREE =
FFLAGS = -Koptmsg=2
OFLAG = -Kfast
OFLAG_IN = $(OFLAG)
DEBUG = -O0 -g
OFLAG_1 = -O1
OFLAG_2 = -O2
OFLAG_3 = -Kfast
OBJECTS = zdotc.o fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o
OBJECTS_O1 += minimax_dependence.o fftw3d.o fftmpi.o fftmpiw.o
OBJECTS_O2 += fft3dlib.o
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = frt -Ksimd_nouse_multiple_structures
CC_LIB = fcc -Nclang
CFLAGS_LIB = -O3
FFLAGS_LIB = $(OFLAG)
FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o
# For the parser library
CXX_PARS = FCC -Nclang
LLIBS = -lstdc++
##
## Customize as of this point! Of course you may change the preceding
## part of this file as well if you like, but it should rarely be
## necessary ...
##
# BLAS, LAPACK, and SCALAPACK (mandatory)
LLIBS += -SSL2BLAMP -SCALAPACK
# HINT: Fujitsu maintains its own fftw fork on GitHub
# (https://github.com/fujitsu/fftw3)
FFTW ?= (PATH_OF_MY_FFTW3)
LLIBS += -L$(FFTW)/lib -lfftw3 -lfftw3_omp
INCS = -I$(FFTW)/include
# HDF5-support (optional but strongly recommended)
#CPP_OPTIONS+= -DVASP_HDF5
#HDF5_ROOT ?= /path/to/your/hdf5/installation
#LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
#INCS += -I$(HDF5_ROOT)/include
# For the VASP-2-Wannier90 interface (optional)
#CPP_OPTIONS += -DVASP2WANNIER90
#WANNIER90_ROOT ?= /path/to/your/wannier90/installation
#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
Hayato Shiba
Information Technology Center, The University of Tokyo, Japan