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yangxuezhang

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专业: 凝聚态物性I:结构、力学和

[求助] 高手帮帮忙

最近换了一个计算环境，用siesta提交到前台能算，提交到队列上却不能算
串行输出文件如下
initatom: Reading input for the pseudopotentials and atomic orbitals ----------
No species found!!!
Stopping Program from Node: 0
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
yhrun: error: cn93: task 0: Exited with exit code 1

并行输出文件如下
Siesta Version:
Architecture : x86_64-unknown-linux-gnu--Intel
Compiler flags: mpif90 -O2
求高手指教

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