我尝试使用mscg进行粗粒度处理。遵循mscg的示例后，我编写了代码，然后得到一个错误-
Read_dump field not found in dump file (src/read_dump.cpp:550)
这是我的转储文件中的快照
ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
378
ITEM: BOX BOUNDS pp pp pp
2.5852897487103199e-01 1.6642001275128969e+01
2.5852897487103199e-01 1.6642001275128969e+01
2.5852897487103199e-01 1.6642001275128969e+01
ITEM: ATOMS id mol type q mass x y z fx fy fy
59 1 5 0.72 12.0112 5.45608 2.24784 7.97627 -8.20149 -27.9835 -27.9835
60 1 6 -0.531 15.9994 5.63288 1.28739 7.19351 -2.46864 36.9206 36.9206
62 1 1 -0.594 15.9994 6.45188 3.0977 8.13106 28.4645 0.0900505 0.0900505
63 1 9 0.423 1.008 7.09857 2.78457 7.47457 -2.44563 5.74031 5.74031
76 2 3 0.1268 1.00797 2.79288 7.25605 1.46111 11.4671 -4.3286 -4.3286
......
＃有关错误的信息
ERROR on proc 0: Read_dump field not found in dump file
(src/read_dump.cpp:550)
Last command: rerun petg.dump first 0 last 3000 every 100 dump x y z fx
fy fz
-------------------------------------------------------------------------
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.
-------------------------------------------------------------------------
这是我的代码
units real
atom_style full
pair_style zero 10.0
read_data cg.data
pair_coeff * *
thermo 1
thermo_style custom step
# Test 1a: range finder functionality
fix 1 all mscg 1 range on
rerun petg.dump first 0 last 3000 every 100 dump x y z fx fy fz
print "TEST_1a mscg range finder"
unfix 1
# Test 1b: force matching functionality
fix 1 all mscg 1
rerun petg.dump first 0 last 3000 every 100 dump x y z fx fy fz
print "TEST_1b mscg force matching
print TEST_DONE