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[求助]
用Intel 2019 Parallel Studio XE編譯vasp5.4.4測(cè)試的時(shí)候出現(xiàn)問題，求助大佬�。�！ 已有2人參與
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求助大佬Vasp5.4.4編譯出來之后運(yùn)行有問題，不知道怎么解決，我是直接用的Intel 2019 Parallel Studio XE全套的, Intel(R) Parallel Studio XE 2019 Update 1 for Linux* Copyright (C) 2009-2018 Intel Corporation. All rights reserved. [root@localhost yan]# which icc ifort icpc mpiifort /opt/intel/compilers_and_libraries_2019.1.144/linux/bin/intel64/icc /opt/intel/compilers_and_libraries_2019.1.144/linux/bin/intel64/ifort /opt/intel/compilers_and_libraries_2019.1.144/linux/bin/intel64/icpc /opt/intel/compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin/mpiifort 問題如下： [root@localhost vasp.Hg]# mpirun -np 4 vasp Abort(1094543) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack: MPIR_Init_thread(639)......: MPID_Init(860).............: MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available) Abort(1094543) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack: MPIR_Init_thread(639)......: MPID_Init(860).............: MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available) Abort(1094543) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack: MPIR_Init_thread(639)......: MPID_Init(860).............: MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available) Abort(1094543) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack: MPIR_Init_thread(639)......: MPID_Init(860).............: MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available) [cli_0]: readline failed forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source vasp 0000000001567364 Unknown Unknown Unknown libpthread-2.17.s 00007F9F5F7CC5D0 Unknown Unknown Unknown vasp 000000000041E11F Unknown Unknown Unknown vasp 000000000043C964 Unknown Unknown Unknown vasp 00000000013863F9 Unknown Unknown Unknown vasp 000000000040EBE2 Unknown Unknown Unknown libc-2.17.so 00007F9F5F1103D5 __libc_start_main Unknown Unknown vasp 000000000040EAE9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source vasp 0000000001567364 Unknown Unknown Unknown libpthread-2.17.s 00007FCEC50B35D0 Unknown Unknown Unknown libpthread-2.17.s 00007FCEC50B26DE read Unknown Unknown libmpi.so.12.0.0 00007FCEC79D299F Unknown Unknown Unknown libmpi.so.12.0.0 00007FCEC79D1D32 Unknown Unknown Unknown libmpi.so.12.0.0 00007FCEC60148D0 Unknown Unknown Unknown libmpi.so.12.0.0 00007FCEC60C5613 MPIR_Err_return_c Unknown Unknown libmpi.so.12.0.0 00007FCEC6CA9299 MPI_Init Unknown Unknown libmpifort.so.12. 00007FCEC8A4A4EB MPI_INIT Unknown Unknown vasp 000000000041DF6D Unknown Unknown Unknown vasp 000000000043C964 Unknown Unknown Unknown vasp 00000000013863F9 Unknown Unknown Unknown vasp 000000000040EBE2 Unknown Unknown Unknown libc-2.17.so 00007FCEC49F73D5 __libc_start_main Unknown Unknown vasp 000000000040EAE9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) make之后也編譯出來了，在拿Hg測(cè)試的時(shí)候發(fā)現(xiàn)上面的問題，想知道這個(gè)是哪個(gè)方面的問題，要怎么解決？其中makefile.include文件沒有改，如下： # Precompiler options CPP_OPTIONS= -DHOST=\"LinuxIFC\"\ -DMPI -DMPI_BLOCK=8000 \ -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Duse_bse_te \ -Dtbdyn \ -Duse_shmem CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = mpiifort FCL = mpiifort -mkl=sequential -lstdc++ FREE = -free -names lowercase FFLAGS = -assume byterecl -w OFLAG = -O2 OFLAG_IN = $(OFLAG) DEBUG = -O0 MKL_PATH = $(MKLROOT)/lib/intel64 BLAS = LAPACK = BLACS = -lmkl_blacs_intelmpi_lp64 SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS) OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o INCS =-I$(MKLROOT)/include/fftw LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS) OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o OBJECTS_O2 += fft3dlib.o # For what used to be vasp.5.lib CPP_LIB = $(CPP) FC_LIB = $(FC) CC_LIB = icc CFLAGS_LIB = -O FFLAGS_LIB = -O1 FREE_LIB = $(FREE) OBJECTS_LIB= linpack_double.o getshmem.o # For the parser library CXX_PARS = icpc LIBS += parser LLIBS += -Lparser -lparser -lstdc++ # Normally no need to change this SRCDIR = ../../src BINDIR = ../../bin #================================================ # GPU Stuff CPP_GPU = -DCUDA_GPU -DRPROMU_CPROJ_OVERLAP -DUSE_PINNED_MEMORY -DCUFFT_MIN=28 -UscaLAPACK OBJECTS_GPU = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d_gpu.o fftmpiw_gpu.o CC = icc CXX = icpc CFLAGS = -fPIC -DADD_ -Wall -openmp -DMAGMA_WITH_MKL -DMAGMA_SETAFFINITY -DGPUSHMEM=300 -DHAVE_CUBLAS CUDA_ROOT ?= /usr/local/cuda/ NVCC := $(CUDA_ROOT)/bin/nvcc -ccbin=icc CUDA_LIB := -L$(CUDA_ROOT)/lib64 -lnvToolsExt -lcudart -lcuda -lcufft -lcublas GENCODE_ARCH := -gencode=arch=compute_30,code=\"sm_30,compute_30\" \ -gencode=arch=compute_35,code=\"sm_35,compute_35\" \ -gencode=arch=compute_60,code=\"sm_60,compute_60\" MPI_INC = $(I_MPI_ROOT)/include64/ 不知道bashrc的路徑寫的是不是有問題，也貼出來請(qǐng)大佬幫忙看看。 # .bashrc # User specific aliases and functions alias rm='rm -i' alias cp='cp -i' alias mv='mv -i' # Source global definitions if [ -f /etc/bashrc ]; then . /etc/bashrc fi source /opt/intel/parallel_studio_xe_2019/psxevars.sh export PATH=$PATH:/home/vasp.5.4.4/vasp.5.4.4/bin |
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4樓2019-02-05 21:36:16
2樓2019-02-05 18:49:08
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沒有在root下面運(yùn)行就出現(xiàn)下面的報(bào)錯(cuò)： [yan@localhost vasp.Hg]$ mpirun -np 4 vasp [proxy:0:0@localhost.localdomain] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/hydra_spawn.c:113): execvp error on file vasp (No such file or directory) [proxy:0:0@localhost.localdomain] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/hydra_spawn.c:113): execvp error on file vasp (No such file or directory) [proxy:0:0@localhost.localdomain] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/hydra_spawn.c:113): execvp error on file vasp (No such file or directory) [proxy:0:0@localhost.localdomain] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/hydra_spawn.c:113): execvp error on file vasp (No such file or directory) |
3樓2019-02-05 20:03:54
5樓2019-02-05 22:58:29
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