Hi,
I was trying to compile VASP.6.5.1 at a RHEL 9 HPC with AMD cpu nodes. I got the following errors during 'make DEPS=1 -j8 all'.
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make[3]: *** [makefile:31: timing_.o] Error 1
make[3]: Leaving directory '/dartfs-hpc/rc/home/c/f007nhc/VASP/vasp_amd/vasp.6.5.1/build/ncl/lib'
make[2]: *** [makefile:18: all] Error 2
make[2]: Leaving directory '/dartfs-hpc/rc/home/c/f007nhc/VASP/vasp_amd/vasp.6.5.1/build/ncl/lib'
make[1]: *** [makefile:169: lib] Error 2
make[1]: *** Waiting for unfinished jobs....
gcc -O -c -o timing_.o timing_.c
timing_.c: In function ‘timing_C’:
timing_.c:10:6: warning: old-style function definition [-Wold-style-definition]
10 | void timing_C(mode,utime,stime,now,minpgf,majpgf,maxrsize,avsize,swaps,ios,cswitch,ierr)
| ^~~~~~~~
timing_.c:20:19: error: conflicting types for ‘getrusage’; have ‘int(void)’
20 | int getrusage();
| ^~~~~~~~~
In file included from timing_.c:8:
/usr/include/sys/resource.h:87:12: note: previous declaration of ‘getrusage’ with type ‘int(__rusage_who_t, struct rusage *)’ {aka ‘int(int, struct rusage *)’}
87 | extern int getrusage (__rusage_who_t __who, struct rusage *__usage) __THROW;
| ^~~~~~~~~
timing_.c:25:31: error: too many arguments to function ‘getrusage’; expected 0, have 2
25 | if ( *mode == 0 ) {*ierr = getrusage(RUSAGE_SELF,&rudata);};
| ^~~~~~~~~ ~~~~~~~~~~~
timing_.c:20:19: note: declared here
20 | int getrusage();
| ^~~~~~~~~
timing_.c:26:31: error: too many arguments to function ‘getrusage’; expected 0, have 2
26 | if ( *mode != 0 ) {*ierr = getrusage(RUSAGE_CHILDREN,&rudata);};
| ^~~~~~~~~ ~~~~~~~~~~~~~~~
timing_.c:20:19: note: declared here
20 | int getrusage();
| ^~~~~~~~~
timing_.c:33:16: error: too many arguments to function ‘gettimeofday’; expected 0, have 2
33 | dumerr = gettimeofday(&realtime,NULL);
| ^~~~~~~~~~~~ ~~~~~~~~~
timing_.c:21:19: note: declared here
21 | int gettimeofday();
| ^~~~~~~~~~~~
make[3]: *** [makefile:31: timing_.o] Error 1
make[3]: Leaving directory '/dartfs-hpc/rc/home/c/f007nhc/VASP/vasp_amd/vasp.6.5.1/build/std/lib'
make[2]: *** [makefile:18: all] Error 2
make[2]: Leaving directory '/dartfs-hpc/rc/home/c/f007nhc/VASP/vasp_amd/vasp.6.5.1/build/std/lib'
make[1]: *** [makefile:169: lib] Error 2
The following is my make.include, adapted from makefile.include.gnu_ompi_aocl:
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# Default precompiler options
CPP_OPTIONS = -DHOST=\"LinuxGNU\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Dtbdyn \
-Dfock_dblbuf
CPP = gcc -E -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = mpif90
FCL = mpif90
FREE = -ffree-form -ffree-line-length-none
FFLAGS = -w -ffpe-summary=none
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = gcc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o
# For the parser library
CXX_PARS = g++
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 ...
##
# When compiling on the target machine itself, change this to the
# relevant target when cross-compiling for another architecture
VASP_TARGET_CPU ?= -march=native
FFLAGS += $(VASP_TARGET_CPU)
# For gcc-10 and higher (comment out for older versions)
FFLAGS += -fallow-argument-mismatch
# BLAS (mandatory)
AMDBLIS_ROOT ?= /dartfs-hpc/rc/home/c/f007nhc/local_builds/aocl/install/5.0.0/aocc
BLAS = -L${AMDBLIS_ROOT}/lib -lblis
# LAPACK (mandatory)
AMDLIBFLAME_ROOT ?= /dartfs-hpc/rc/home/c/f007nhc/local_builds/aocl/install/5.0.0/aocc
LAPACK = -L${AMDLIBFLAME_ROOT}/lib -lflame
# scaLAPACK (mandatory)
AMDSCALAPACK_ROOT ?= /dartfs-hpc/rc/home/c/f007nhc/local_builds/aocl/install/5.0.0/aocc
SCALAPACK = -L${AMDSCALAPACK_ROOT}/lib -lscalapack
LLIBS += $(SCALAPACK) $(LAPACK) $(BLAS)
# FFTW (mandatory)
AMDFFTW_ROOT ?= /dartfs-hpc/rc/home/c/f007nhc/local_builds/aocl/install/5.0.0/aocc
LLIBS += -L$(AMDFFTW_ROOT)/lib -lfftw3
INCS += -I$(AMDFFTW_ROOT)/include
# HDF5-support (optional but strongly recommended, and mandatory for some features)
#CPP_OPTIONS+= -DVASP_HDF5
#HDF5_ROOT ?= /path/to/your/hdf5/installation
#LLIBS += -L$(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
# For machine learning library vaspml (experimental)
#CPP_OPTIONS += -Dlibvaspml
#CPP_OPTIONS += -DVASPML_USE_CBLAS
#CPP_OPTIONS += -DVASPML_DEBUG_LEVEL=3
#CXX_ML = mpic++
#CXXFLAGS_ML = -O3 -std=c++17 -pedantic-errors -Wall -Wextra
#INCLUDE_ML = -I${AMDBLIS_ROOT}/include/blis -I${AMDLIBFLAME_ROOT}/include
I installed my own gcc, aocc, aocl and openmpi in my home dir and added them to PATH. Could you please help me with the issue?
Thanks in advance!
Best,
Jianming
