Configuring HP-MPI on parallel Linux systemsSee Installing Materials Studio on Windows systems for information about installing Materials Studio on a PC. Installing Materials Studio on a Linux cluster It is developed and distributed by BIOVIA (formerly Accelrys), a firm specializing in. •ABB Robotstudio 3.1 ABB Virtual IRC5 5.0 ABB Webware SDK 4.0 ABBYY 2 in 1 Lingvo 8 Fine Reader 6 Professional ABBYY Fine Reader Pro 7.0 ABSOFT Pro Fortran FOR WINDOWS 6.0 ABVENT Artlantis 4.5 - ISO ABVENT Photocad 1.0 Accel EDA 15.0 Accelrys Materials Studio 2.2 Accelrys Materials Studio 3.01 Accelrys DS Viewer Pro 5.0 Access Installing Materials Studio on Linux systemsMaterials Studio is software for simulating and modeling materials. In this code, the electronic wave functions are expanded in an atom-centered basis set defined on a numerical grid.Locked features Accelrys Materials Business v5.0 for Home windows torrent megaupload.Accelrys Components Facilities v5.0 for Windows complete rapidshare free of charge from netload.Please stick to if you would like to study even more on Accelrys Components Recording studio 6.0 on Accelrys Software program Inc.h page.Installing Materials Studio on Linux systems 16:42阅读(31).赞赞赞赞评论(3)转载(3)分享(1)复制地址举报The Accelrys Materials Studio 6.0 module used to do this calculation is DMol 3 , a first-principles code based on the density functional theory (DFT).
Log in as the user under whose account the servers will be installed.2.Mount the media either locally or over the network.3.Parallel Materials Studio servers on both IA32 and IA64 Linux platforms require that Platform MPI 7 (formerly HP-MPI 2.3.1) be installed prior to the installation of Materials Studio servers. Materials Studio gateway and server installation cannot be shared between multiple server host machines.To install Materials Studio gateway and server products1.Do not install Materials Studio under the root account. Each host that you wish to use as a platform for Materials Studio server products must have its own private installation of the Materials Studio gateway and the relevant server products. You may have to ask your system administrator to provide a suitable account and file space. You should not perform an installation as the root user. See the Working with gateways topic in the Materials Studio Online help and the Server Console help system for details of gateway configuration and management.The Materials Studio gateway and server products should be installed as a specific user (accelrys for example).
For further information on the gateway installation please refer to the Registering a gateway help topic.The rpm package of the HP-MPI distribution is provided on the Materials Studio installation media. Updating an installation (installing to a directory where there is already an existing installation of Materials Studio) is not supported.6.Choose the product(s) that you wish to install from the displayed menu and press the Enter key.7.You will then be prompted for further information regarding licensing.8.Near the end of the installation procedure, you will be asked if you wish to start the gateway. This file space must be a disk drive local to the host machine.Note.
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If you are installing Discover on a cluster, refer to the troubleshooting item below to avoid possible problems with communication between the cluster nodes.To install Materials Studio on a Linux cluster1.Log in as the user under whose account the servers will be installed.3.Assuming the media drive is mounted on /CDROM, run the /CDROM/UNIX/Install -type cluster command.4.When prompted for a destination directory, use one where the logged-in user has write permission. Follow the modified installation sequence below when installing Materials Studio for use on a cluster.Note. Materials Studio assumes that it will be installed such that the path to the installation location is the same on all of the cluster nodes. Since the problem the messages refer to is benign and will not affect the operation of Materials Studio, you can safely ignore any such warning messages.Installing Materials Studio on a Linux clusterMaterials Studio server products are supported on Linux clusters. If you are upgrading from an earlier version of HP-MPI, you may receive warning messages about replacing certain files (the files in question are manual source files). If you have HP-MPI installed on a Linux system and want to determine the version, use the % ident $MPI_ROOT/bin/mpicc | grep command.1.Run the su command and enter the superuser password to become the root user.2.Copy the appropriate rpm file for your system from the media to /tmp or another suitable directory.3.Run the rpm command to install the correct package (i386 or x86_64 for IA32 Linux, ia64 for IA64 Linux):HP-MPI can be installed to the standard location (/opt/hpmpi) or to the Materials Studio installation folder.4.When installing HP-MPI on a Linux cluster, install HP-MPI on the head node and then repeat the installation on all the compute nodes.Note.
These values are the various IP addresses of the head node on each network.4.Login to one of the compute nodes in your cluster, and issue the ifconfig command again. For a cluster with one external and one internal network, the names eth0 and eth1 respectively are typically used.3.Make a note of the value of the parameter inet addr for each named interface, with the exception of lo (the local loopback). As HP-MPI calls made from the head node to compute nodes are automatically stamped with a 'callback' IP address to which the compute nodes' HP-MPI software will return the computed data, it is necessary to ensure that this callback IP address is accessible from the compute nodes in order for the software to function correctly.To verify that your cluster meets this criteria, you should carry out the following test:1.Login to the head node of your cluster as the superuser, and enter the command ifconfig.2.For each active network interface the command will return details in the general format Link encap:Ethernet HWaddr 00:17:A4:8F:65:18Inet addr:192.10.11.200 Bcast:192.10.11.255 Mask:255.255.255.0Where is the name of the network interface.
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