运行量子浓缩示例时错误"test_input_xml:输入文件未打开或空“

Question

我安装了量子浓缩咖啡6.2并使用了cygwin。我用example01测试了量子浓缩咖啡，计算了Si，Al，Cu和Ni的能带结构。我收到如下错误消息：

running the scf calculation for Si...from test_input_xml: input file not opened or empty
At line 1999 of file read_namelists.f90 (unit = 9, file = 'input_tmp.in')
Fortran runtime error: End of file

Error termination. Backtrace:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
from test_input_xml: input file not opened or empty
At line 1999 of file read_namelists.f90 (unit = 9, file = 'input_tmp.in')
Fortran runtime error: End of file

你能帮我克服这个问题吗？

Answer 1

您的PARA_PREFIX文件中的environment_variables设置为什么？

试着用

PARA_PREFIX=" "

或者如果你有MPI，你可以试试

PARA_PREFIX=" mpirun -np 1 "

大多数测试和示例都是按顺序运行的。