VASP error on NEC SX-8
Posted: Tue Jul 10, 2007 8:21 am
Hi,
I am having trouuble to get vasp (4.6.28) working on our NEC SX8.
After the compilation of the serial code, I tried to run the bench_hg test.
The compiler is sxf90 (crosscompilation) and the Makefile is:
SUFFIX=.f
# fortran compiler
FC=sxf90
F77=sxf90
FCL=$(FC)
# vector_nec inserts the NEC-directives for the vectorisation
CPP=./preprocess <$*.F | cpp -P -C -traditional -DHOST=\"NECSX8\" \
-Dkind8 -DNGXhalf -Dvector -DUSE_ERF -Davoidalloc >$*.f
# general fortran flags IEEE double precision
FFLAGS = -f4 -float0 -ew -eab
FFLAGS_F77= $(FFLAGS)
# optimization NEC SX
OFLAG = -Wf "-pvctl loopcnt=1000000 noassume nodivloop novlchk " \
-Wf "-pvctl vwork=stack noverrchk vr256 vchg -i noerrchk -O nomovediv "\
-Wf " -fopp " -Wf"-L fmtlist -L transform"
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH = none
OBJ_NOOPT = none
DEBUG = -Ng
INLINE = -pi line=200000 nest=9 $(OFLAG)
# options for linking IEEE double precision
LINK = -float0 -ew
LIB = ../vasp.4.lib/preclib.o ../vasp.4.lib/timing.fujitsu.o ../vasp.4.lib/diolib.o ../vasp.4.lib/dlexlib.o \
../vasp.4.lib/itmtv.o ../vasp.4.lib/drdatab.o ../vasp.4.lib/crayerrf.o ../vasp.4.lib/sclock_nec.o \
../vasp.4.lib/linpack_double.o -L/SX/usr/lib0 -lnetcdf -lcpp -llapack_64 -lblas_64 -lfft_64
FFT3D = fft3dfurth.o fft3dlib.o
...
But vasp aborted with the following error right away:
*** 167 Incomplete FORMAT specification PROG=chkint ELN=944(4005cc2fc)
Called from chktyp ELN=642(4005c9688)
Called from nitems ELN=131(4005bf6b4)
Called from poscar.rd_poscar_head ELN=207(4000882bc)
Called from vamp ELN=544(40000f670)
** FORMAT pt=16 len=16 ** (
2222222222222222
8000000000000000
*
vasp.4.6.28 25Jul05 complex
****** Program Information ******
Real Time (sec) : 0.121508
User Time (sec) : 0.001794
Sys Time (sec) : 0.075984
Vector Time (sec) : 0.000018
Inst. Count : 241612.
V. Inst. Count : 397.
V. Element Count : 44745.
FLOP Count : 464.
MOPS : 159.363171
MFLOPS : 0.258583
VLEN : 112.707809
V. Op. Ratio (%) : 15.647293
Memory Size (MB) : 48.031250
MIPS : 134.648393
I-Cache (sec) : 0.000839
O-Cache (sec) : 0.000490
Bank (sec) : 0.000000
Seems like there is a problem with the subroutine CHKINT and some format statement but I have no clue what causes the problem.
Does anybody have experience compiling vasp on NEC?
Does anybody know what to do?
Thanks alot.
I am having trouuble to get vasp (4.6.28) working on our NEC SX8.
After the compilation of the serial code, I tried to run the bench_hg test.
The compiler is sxf90 (crosscompilation) and the Makefile is:
SUFFIX=.f
# fortran compiler
FC=sxf90
F77=sxf90
FCL=$(FC)
# vector_nec inserts the NEC-directives for the vectorisation
CPP=./preprocess <$*.F | cpp -P -C -traditional -DHOST=\"NECSX8\" \
-Dkind8 -DNGXhalf -Dvector -DUSE_ERF -Davoidalloc >$*.f
# general fortran flags IEEE double precision
FFLAGS = -f4 -float0 -ew -eab
FFLAGS_F77= $(FFLAGS)
# optimization NEC SX
OFLAG = -Wf "-pvctl loopcnt=1000000 noassume nodivloop novlchk " \
-Wf "-pvctl vwork=stack noverrchk vr256 vchg -i noerrchk -O nomovediv "\
-Wf " -fopp " -Wf"-L fmtlist -L transform"
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH = none
OBJ_NOOPT = none
DEBUG = -Ng
INLINE = -pi line=200000 nest=9 $(OFLAG)
# options for linking IEEE double precision
LINK = -float0 -ew
LIB = ../vasp.4.lib/preclib.o ../vasp.4.lib/timing.fujitsu.o ../vasp.4.lib/diolib.o ../vasp.4.lib/dlexlib.o \
../vasp.4.lib/itmtv.o ../vasp.4.lib/drdatab.o ../vasp.4.lib/crayerrf.o ../vasp.4.lib/sclock_nec.o \
../vasp.4.lib/linpack_double.o -L/SX/usr/lib0 -lnetcdf -lcpp -llapack_64 -lblas_64 -lfft_64
FFT3D = fft3dfurth.o fft3dlib.o
...
But vasp aborted with the following error right away:
*** 167 Incomplete FORMAT specification PROG=chkint ELN=944(4005cc2fc)
Called from chktyp ELN=642(4005c9688)
Called from nitems ELN=131(4005bf6b4)
Called from poscar.rd_poscar_head ELN=207(4000882bc)
Called from vamp ELN=544(40000f670)
** FORMAT pt=16 len=16 ** (
2222222222222222
8000000000000000
*
vasp.4.6.28 25Jul05 complex
****** Program Information ******
Real Time (sec) : 0.121508
User Time (sec) : 0.001794
Sys Time (sec) : 0.075984
Vector Time (sec) : 0.000018
Inst. Count : 241612.
V. Inst. Count : 397.
V. Element Count : 44745.
FLOP Count : 464.
MOPS : 159.363171
MFLOPS : 0.258583
VLEN : 112.707809
V. Op. Ratio (%) : 15.647293
Memory Size (MB) : 48.031250
MIPS : 134.648393
I-Cache (sec) : 0.000839
O-Cache (sec) : 0.000490
Bank (sec) : 0.000000
Seems like there is a problem with the subroutine CHKINT and some format statement but I have no clue what causes the problem.
Does anybody have experience compiling vasp on NEC?
Does anybody know what to do?
Thanks alot.