ORCA finished by error termination in MP2 Calling Command: mpirun -np 24 /public1/home/sc81010/packages/ORCA421/orca_4_2_1_linux_x86-64_shared_openmpi314/orca_mp2_mpi TS4-OTf-fix-sub-re-nofreeze-sp-orca6-toluen
- Failed to add 50 0 to orcaSP.IAV_aa.tmp.proc3ORCA finished by error termination in MP2...
0 15.999 0.000000 0.000000 1.315607ORCA finished by error termination in GTOIntCalli...
ORCA finished by error termination in MP2 Calling Command: mpirun -np 4 /root/orca/orca_mp2...
ORCA finished by error termination in MP2 Calling Command: mpiexec -np 2 D:\ORCA\orca_mp2_...
ORCA finished by error termination in MP2 Calling Command: mpirun -np 24 /PARA/blsc293/orca_...
ORCA finished by error termination in MP2 Not enough memory in RI-Trafo (need 1458.50682067871 ...
但是在处理反应物、过渡态和产物时均出现ORCA finished by error termination in MDCI 错误，之前的提醒...
0.0127017 0.0000 ORCA finished by error termination in SCF CallingCommand: mpiexec -np 10 d:\orca\orca_scf_mpi.exe a1.gbw b [file orca_toolsqcmsg.cpp, line 432]: ... aborting the run 这是out文件。不好意思啊,接触ORCA。很多都不懂,看手册也有点懵,麻烦帮忙看一下:) 回复...
have crashed. exit code 12--- error analysis ---ORCA finished by error termination in MDCICallin...