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pigrass

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伊卡斯特的小猪

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[交流] Materials Studio 6.1 即将迎来SP2更新已有4人参与

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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附件 1 : ProductReleaseDocument_MaterialsStudio_6.1_SP2.pdf

2013-05-07 08:24:50, 189.99 K