#Sequential testing at intel professional#
The paper was a product of the RAND Corporation from 1948 to 2003 that captured speeches, memorials, and derivative research, usually prepared on authors' own time and meant to be the scholarly or scientific contribution of individual authors to their professional fields. WARNING: Number of rows and/or columns in files stress and stress.ref disagree.Ĭreating 32 CUFFT plans with grid size 18 x 16 x 16.This report is part of the RAND Corporation Paper series.
WARNING: Number of rows and/or columns in files force and force.ref disagree.ĮRROR: the stress tensor is different, please check Please check! Continuing using the smaller number of columns and/or rows.ĮRROR: the test yields different results for the forces, please check WARNING: Number of rows and/or columns in files energy_outcar and energy_outcar.ref disagree.
POSCAR, INCAR and KPOINTS ok, starting setupĬreating 32 CUFFT plans with grid size 16 x 16 x 16.ĮRROR: the test yields different results for the energies, please check LDA part: xc-table for Ceperly-Alder, standard interpolation | The real-space optimization is not efficient for small cells and it | | it is recommended to use the reciprocal-space projection scheme! | | You have a (more or less) 'small supercell' and for smaller cells | | -> ADVICE to this user running VASP <- | In addition to the usual required citations (see manual). You are running the GPU port of VASP! When publishing results obtained with Using device 0 (rank 0, local rank 0, local size 1) : Quadro P5000ĭistrk: each k-point on 1 cores, 1 groups VASP_TESTSUITE_EXE_NCL="mpirun -np 1 /home/liviu/source/VASP61/vasp.6.1.0/testsuite/./bin/vasp_gpu_ncl" VASP_TESTSUITE_EXE_STD="mpirun -np 1 /home/liviu/source/VASP61/vasp.6.1.0/testsuite/./bin/vasp_gpu" Note that tests might fail if an other number of ranks is used!Įxecutables and additional INCAR tags used for this test: Reference files have been generated with 4 MPI ranks. MPI_INC = /opt/openmpi401_gcc730/include/Ĭode: Select all = OBJECTS_GPU= fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d_gpu.o fftmpiw_gpu.oĬFLAGS = -fPIC -DADD_ -Wall -fopenmp -DMAGMA_WITH_MKL -DMAGMA_SETAFFINITY -DGPUSHMEM=300 -DHAVE_CUBLASĬUDA_LIB := -L$(CUDA_ROOT)/lib64:$(CUDA_ROOT)/lib64/stubs -lnvToolsExt -lcudart -lcuda -lcufft -lcublas -I$(CUDA_ROOT)/include -lpthread -lm -ldl OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.oĬPP_GPU = -DCUDA_GPU -DRPROMU_CPROJ_OVERLAP -DUSE_PINNED_MEMORY -DCUFFT_MIN=28 -UscaLAPACK -Ufock_dblbuf INCS = -I/opt/intel/mkl/include/intel64/lp64 -I/opt/intel/mkl/include -I/opt/intel/mkl/include/fftw OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o INCS = -I/opt/intel/mkl/include/intel64/lp64 -I/opt/intel/mkl/include LLIBS += /opt/wannier90-2.1.0_gnu/libwannier.aīLAS = /opt/intel/mkl/lib/intel64/libmkl_blas95_lp64.a /opt/intel/mkl/lib/intel64/libmkl_lapack95_lp64.a -Wl,-start-group /opt/intel/mkl/lib/intel64/libmkl_gf_lp64.a /opt/intel/mkl/lib/intel64/libmkl_sequential.a /opt/intel/mkl/lib/intel64/libmkl_core.a -Wl,-end-group -lpthread -lm -ldl DMPI -DMPI_BLOCK=8000 -Duse_collective \ĬPP = gcc -E -P -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)įC = /opt/openmpi401_gcc730/bin/mpif90 -m64 -I/opt/intel/mkl/include -I/opt/intel/mkl/include/intel64/lp64įCL = /opt/openmpi401_gcc730/bin/mpif90 -m64 -I/opt/intel/mkl/include -I/opt/intel/mkl/include/intel64/lp64įREE = -ffree-form -ffree-line-length-none
0 kommentar(er)
