orca+finished+by+error+termination+in+mp2

2025-01-07 11:25:35

拼音 [ 拼音 ]

简拼 [ 简拼 ]

含义

• 求助ORCA计算高精度单点能时出现错误 - 量子化学 (Quantum...

  Running finished!All calculations totally took up wall clock time 41391 s ( 11.50 hours)Gibb...

• orca算单点能,SCF收敛后,MP2部分计算停止 - 量子化学 (Quantum...

  ORCA finished by error termination in MP2 Calling Command: mpirun -np 4 /root/orca/orca_mp2...

• 关于ORCA并行运算 - 量子化学 - 量化新手直通车 - 第2页 小木虫...

  Peter Pinski : DLPNO-MP2, DLPNO-MP2 Gradient Christoph Reimann : Effective Core Potentials ...

• ORCA PWPB95 计算MP2部分报错 - 量子化学 (Quantum Chemistry...

  ORCA finished by error termination in MP2 Calling Command: mpirun -np 24 /PARA/blsc293/orca_...

• 求助orca计算单点能报错:ORCA finished by error termination in...

  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...

• 请问ORCA到底该如何设置合适的核数和内存? - 量子化学 (Quantum...

  ORCA finished by error termination in MP2 Not enough memory in RI-Trafo (need 1458.50682067871 ...

• ORCA计算EPR时OUT文件报错中止 - 量子化学 (Quantum Chemistry...

  out文件最后报错内容为:ORCA finished by error termination in SCFCalling Command: mpiexec-np 10 d:\orca\orca_scf_mpi.exe a1.gbw b [file orca_tools/qcmsg. ...,计算化学公社

• 使用ORCA做DLPNO-NEVPT2计算报错不知如何解决 - 量子化学...

  ORCA finished by error termination in CASSCF Calling Command: mpirun -np 24 /public1/home/sch...

• 新手求助orca DLPNO-CCSD(T)关键词书写 - 量子化学 (Quantum...

  再多问您一下，目前8核，每个核20000MB，这种情况出现ORCA finished by error termination in SCF应该是...

• ORCA DLPNO-CCSD(T)单点报错求助 - 量子化学 (Quantum Chemistry...

  ORCA finished by error termination in MDCI Calling Command: mpirun -np 4 -machinefile Cat_MA-...

缩写

今日热搜

上海网友集中晒蘑菇

近反义词

相关词语

相关搜索