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pigrass专家顾问 (著名写手)
伊卡斯特的小猪
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Materials Studio 6.1 即将迎来SP2更新 已有4人参与
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不知道之前是不是有SP1更新 今天网络搜索的时候无意中发现了 “魁北克大学universitédu québec àtrois-rivières” 的一个ftp的文件目录 ftp://crpp0001.uqtr.ca/MS6SP2/ Accelrys官网暂时还没看到SP2包 里面放出了 Accelrys_Materials_Studio_6.1_SP2_InstallGuide.zip ProductReleaseDocument_MaterialsStudio_6.1_SP2.pdf 两个文件【另外还有linux SUSE windows安装包和测试lic，测试lic很小，打开看东西很少。。。不知道安装程序是否包含SP2更新，反正楼主现在还在用6.0版本】 zip包就是LP程序，貌似没发现什么新东西 pdf文档重申了MS早已经不支持XP等系统 Accelrys, as previously announced, has been discontinued support for Windows XP, Internet Explorer 6, Office 2003, Red Hat Linux 4, and Windows Server 2003 for our Pipeline Pilot, Accord, Materials Studio, and Discovery Studio product lines. 这次SP2服务包包括一些已修复的问题和已知错误，问题涉及Dmol、DFTB+、Forcite、Homopolymer、Castep等模块，使用6.1版本这些模块的需要注意下 Fixed Defects Defect # Severity Description MS-39831 Critical DMol3 has a 5-15% error in the DFT-D interaction energy calculated using the TS dispersion correction scheme. MS-39967 Critical DFTB+ OpenMP parallelization does not work on Linux. MS-40343 Critical DMol3 assigning Hirshfeld charges fail. MS-39588 Major Forcite jobs started from upgraded projects do not honor parallel job settings. MS-39674 Major DMol3 Calculation dialog Properties tab in upgraded projects does not allow selection of the Spin Density option. MS-40386 Major Univariate Analysis and Correlation Matrix operations can cause indeterminate behavior in the Materials Visualizer. MS-39852 Minor More than one chain cannot be specified on the Homopolymer dialog. MS-40005 Minor CASTEP Dynamics dialog Pressure setting cannot be navigated away from using TAB key. Known Issues Defect # Severity Description MS-36055 Major Incorrect scaling is applied by Reflex in crystallite size broadening calculations. Specify a crystallite size 57 times smaller than reality to circumvent this. MS-39098 Major On computers using an Intel GMA integrated graphics processor, Materials Visualizer may crash when closing a 3D view or changing display style. This is the result of an issue with OpenGL shader model support in the older Intel integrated graphics drivers. Workaround: Disable OpenGL shader support. Select Tools | Options… from the menu bar and choose the Graphics tab. Check the Disable OpenGL shaders checkbox and click the OK button. Close and re-open the project. MS-38824 Minor Running Pipeline Pilot Protocol jobs on a server with “Impersonation” enabled may cause issues when downloading results. You should not enable “Impersonation” on Pipeline Pilot server which will be used to run jobs from Materials Studio. MS-38261 Minor DMol3 dynamics calculations using massive GGM (MGGM) thermostat with default settings can generate instabilities. The workaround is to use a significantly higher value of the “Nose Q ratio” than the default setting of 2.0. The MGGM thermostat uses this value as a relaxation time tau, which should be 10-100 times higher than the dynamics time step. MS-31204 Minor VAMP PM6 parameterization for Na gives incorrect energies MS-39059 Minor Structures built using the Build Mesostructure dialog with input mesomolecules generated by the Build Mesomolecule dialog do not have a Molecule.Name property inherited from the mesomolecule .xsd document name. Workaround: You can provide a custom molecule name by adding a Molecule hierarchy to the input mesomolecule. To do this, go to Modules | Morphology | Crystal Graph and select the Molecules tab; with the mesomolecule structure in focus click the Assign button.[ Last edited by pigrass on 2013-5-7 at 08:28 ] |
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2013-05-07 08:24:50, 189.99 K
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2楼2013-05-08 10:21:00
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| 谢谢分享。 |
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