QE并行计算问题,单核可运行,但多核无法运行
sunxiaomo@sunxiaomo-MS-7A68:~/下载/qe6.1/qe-6.1/QE project/aa$ source /etc/profile
sunxiaomo@sunxiaomo-MS-7A68:~/下载/qe6.1/qe-6.1/QE project/aa$ mpirun -np 2 pw.x < scf.in > a.out
from test_input_xml: input file not opened or empty
At line 1963 of file read_namelists.f90 (unit = 9, file = 'input_tmp.in')
Fortran runtime error: End of file
Error termination. Backtrace:
#0 0x7f37f73a5ed7 in ???
#1 0x7f37f73a6a75 in ???
#2 0x7f37f73a722c in ???
#3 0x7f37f7473303 in ???
#4 0x7f37f7473857 in ???
#5 0x7f37f74709e3 in ???
#6 0x7f37f74756e4 in ???
#7 0x55c86232e8a6 in check_namelist_read
at /home/sunxiaomo/下载/qe6.1/qe-6.1/Modules/read_namelists.f90:1963
#8 0x55c862336a01 in __read_namelists_module_MOD_read_namelists
at /home/sunxiaomo/下载/qe6.1/qe-6.1/Modules/read_namelists.f90:1831
#9 0x55c86232e5d3 in __read_input_MOD_read_input_file
at /home/sunxiaomo/下载/qe6.1/qe-6.1/Modules/read_input.f90:68
#10 0x55c86204a950 in pwscf
at /home/sunxiaomo/下载/qe6.1/qe-6.1/PW/src/pwscf.f90:47
#11 0x55c86204a5ee in main
at /home/sunxiaomo/下载/qe6.1/qe-6.1/PW/src/pwscf.f90:30
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[47693,1],1]
Exit code: 2
--------------------------------------------------------------------------
openmpi已安装,QE也已经并行编译了,还是报错,请虫友解答,不胜感激!!!! 返回小木虫查看更多
你编的是串行,没有编译并行的版本吧
没有编译好
已安装了opnmpi,并且在之后./configure了。这个应该算编译好了吧?但是还是有这个问题
openmpi已经安装,安装后编译了QE。还是出现这个问题
现在的问题变成了,只在刚开机的时候能够运行并行计算,但是当运行完一个并行计算后,新的计算无法并行计算。错误提示是
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[52576,1],0]
Exit code: 1
请问这是为什么,
不说说安装了openmpi,configure就能配置好它,需要看看结果make.inc文件
mpirun -np 4 pw.x -i al.band.cg.in > al.band.cg.out 试试这个语句提交