CPU > 100% with serial version VASP
Moderators: Global Moderator, Moderator
CPU > 100% with serial version VASP
hello, everyone,
I have compiled serial version VASP 5.3.5 with ifort-12.1.5, icc-12.1.5 and openmpi-1.6.5 without any error.
But, when I run VASP (serial version) in a node (AMD, 4 core), the CPU utility is greater than 100%, even 1800%.
Could someone help me to find where the error is.
Thanks for advanced!
----------------------
PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND
35726 user 20 0 2386m 36m 7804 R 1835.6 0.0 2:56.37 vasp_test
----------------------
following are some important lines in Makefile (copy from makefile.linux_ifc_p4)
FC=ifort
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf
FFLAGS = -FR -names lowercase -assume byterecl -I/share/apps/intel-12.1/mkl/include/fftw
MKLROOT=/share/apps/intel-12.1/mkl
MKL_PATH=$(MKLROOT)/lib/intel64
MKL_FFTW_PATH=$(MKLROOT)/interfaces/fftw3xf/
BLAS= -lguide -mkl
LAPACK= $(MKL_PATH)/libmkl_intel_lp64.a
FFT3D = fft3dfurth.o fft3dlib.o x)
I have compiled serial version VASP 5.3.5 with ifort-12.1.5, icc-12.1.5 and openmpi-1.6.5 without any error.
But, when I run VASP (serial version) in a node (AMD, 4 core), the CPU utility is greater than 100%, even 1800%.
Could someone help me to find where the error is.
Thanks for advanced!
----------------------
PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND
35726 user 20 0 2386m 36m 7804 R 1835.6 0.0 2:56.37 vasp_test
----------------------
following are some important lines in Makefile (copy from makefile.linux_ifc_p4)
FC=ifort
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf
FFLAGS = -FR -names lowercase -assume byterecl -I/share/apps/intel-12.1/mkl/include/fftw
MKLROOT=/share/apps/intel-12.1/mkl
MKL_PATH=$(MKLROOT)/lib/intel64
MKL_FFTW_PATH=$(MKLROOT)/interfaces/fftw3xf/
BLAS= -lguide -mkl
LAPACK= $(MKL_PATH)/libmkl_intel_lp64.a
FFT3D = fft3dfurth.o fft3dlib.o x)
Last edited by xujc1983 on Wed Jul 30, 2014 6:32 am, edited 1 time in total.
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- Global Moderator
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- Joined: Mon Nov 18, 2019 11:00 am
Re: CPU > 100% with serial version VASP
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP