根据美国Gaussian公司的规定:2019年4月1日之后购买 Gaussian 16 Revision B.01, TCP-Linda 9.1,GMMX 3.0, GaussView 6.0.16 软件的用户,将在几周内收到美国Gaussian公司寄出的免费升级软件。 以下是Gaussian 16 Revision C.01 Release Notes,方便大家了解。 新模拟方法 · [REV C] 支持NBO 7软件接口。此版本...
Features and changes introduced in Revs. B.01 and C.01 are indicated by[REV B]and[REV C], respectively. Changes between G16 Revision C.01 and G16 Revision C.02 Revision C.02 is an update to support NVIDIA A100 (Ampere) GPUs and the NVIDIA SDK compiler version 21.3. The build proced...
[REV C]The ROA invariants for each vibrational mode are now only printed by G16 or byfreqchkif normal mode derivatives were requested, rather than by default. [REV C]Utilities can now take the-mcommand-line argument to specify the amount of memory available to the utility. For example: ...
V100 support is new with [REV C]支持了更新的GPU加速计算，但是根据之前的官方测试数据看，G16的GPU...
Thus, upgrading from Gaussian 16 Rev. A.03 or B.01 w/Linda to G16 Rev. C.01 w/Linda requires an update to Linda 9.2. • In order to build on Intel-based Macintosh computers, the source code and tools must be installed on an HFS+ case-sensitive file system (or a UFS file ...
During build of Gaussian-src I have noticed that the gau-machine binary is missing. This is needed during build and for the login profile file bsd/g16.login or g16.profile. I have added this to the list of binaries to copy in the package.py. Also the bi
Gaussian 09: IA32W-G09RevD.01 24-Apr-2013 01-Nov-2019 *** %nosave %nprocshared=4 Will ...
Gaussian 09: IA32W-G09RevD.01 24-Apr-2013 05-Nov-2017 *** %chk=C:\gtest\C6H5NO2.chk fname=C:\gtest\C6H5NO2.chk fd = -1 open-new-file复制代码原因:高斯无法创建、访问 %chk(或其他Link0指令)指向的文件(本例中是 C:\gtest\C6H5NO2.chk) 解决:确认相应目录确实存在(此例...
[16] L. Zunino, D. G. Pe麓rez, M. T. Mart麓谋n, A. Plastino, M. Garavaglia, O. A. Rosso, Phys. Rev. E 75, 021115 (2007). [17] C. M. Kendziorski, J. B. Bassingthwaighte, P. J. Tonellato, Physica A 273, 439 (1999). [18] L. A. Salomon, J. C. Fort, J....
Gaussian 09: IA32W-G09RevD.01 24-Apr-2013 05-Nov-2017 *** %chk=C:\gtest\C6H5NO2.chk fname=C:\gtest\C6H5NO2.chk fd = -1 open-new-file复制代码原因:高斯无法创建、访问 %chk(或其他Link0指令)指向的文件(本例中是 C:\gtest\C6H5NO2.chk) 解决:确认相应目录确实存在(此例...