ShengBTE算热导率运行报错

xwjjie

各位老师，我在运行ShengBTE算热导率时，有下面的错误，但是换一台机器算就没问题，这是怎么回事啊，是软件安装问题，还是输入参数有问题啊。

Error：

Error: ntot!=nptk
Attempting to use an MPI routine (internal_Allreduce) before initializing or after finalizing MPICH
Attempting to use an MPI routine (internal_Allreduce) before initializing or after finalizing MPICH
Attempting to use an MPI routine (internal_Allreduce) before initializing or after finalizing MPICH

CONTROL文件：

&allocations
        nelements=4,
        natoms=28,
        ngrid(:)=8 8 8
        norientations=0
&end
&crystal
        此处省略了，太长了
&end
¶meters
        T_min=100
        T_max=100
        T_step=100
        scalebroad=0.1
        nticks= 100
        eps=1e-4

        num_sample_process_3ph_phase_space = -1
        num_sample_process_3ph = -1
        num_sample_process_4ph_phase_space = 100000
        num_sample_process_4ph = 100000
&end
&flags
        nonanalytic=.TRUE.
        nanowires=.FALSE.
        convergence=.TRUE.
        four_phonon=.TRUE.
        espresso=.false.
&end