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There were 12 questions found in this category:
  1. questionHow To: Setup PVM for LeadIT
    Prepare PVM EnvironmentChoose a machine as a PVM daemon machine, accessible from any cluster nodeConfigure ssh, so that my user can login to the PVM daemon machine; in the following steps, as an example this user is called bitDownload PVM from http://www.csm.ornl.gov/pvm, compile itSet up the fo ...

  2. questionFlexX/SIS Parallel Runs Utter A PVM Error: "-7 (No such file)"
    When FlexX or FlexSIS utter this error libpvm [nnnn]: pvm_spawn: Not FoundTrouble spawning work processes on host NNN, abort. Error codes:Process 0 : -7 (No such file)this points to the PVM not being able to find the executable in parallel computing mode.For remedy:Please check the entry FLEXX ( ...

  3. questionHow can I use the information in the decrypted static data files?
    Decryption is not allowed in evaluation mode. Please contact us if this represents a severe hurdle for your evaluation.Start LeadIT in commandline mode (leadit --commandline).An encrypted file looks like this: #encrypt flexx 11fcfeee9f59f079a3b2e8aae446cd4e1b6c58a9b295aff5de7fa3af6a96d9 0bae502c ...

  4. questionHowTo: Determine the BioSolveIT-HostID
    There are several ways to determine the BioSolveIT-HostID of a computer (this is not the CPU-ID you can determine with other tools). Download the tool "FlexIDgen" from http://www.biosolveit.de/download unzip the file and run the included executable "flexidgen" (or flexidgen.exe on Windows) ...

  5. questionHowTo: Escape to the Operating System - Shell Escape
    FlexX/S and FTrees allow you to temporarily escape to your operating system. This can be convenient, for example, to zip or unzip input or output files. Also your custom analysis program or more complicated scripted tasks can be executed from within Flex*/FTrees. The shell escape is invoked wit ...

  6. questionHowTo: set up PVM
    1) find out where the PVM installation is, e.g.: sol64 /home/flex/session_9_scripting> which pvm (results for example in: ) /usr/local/lib/pvm3/64/lib/pvm the (underlined) part before lib will usually be the $PVM_ROOT setting 2) edit your .cshrc to reflect proper PVM settings This is w ...

  7. questionI can't get MOE to run with LeadIT's Docking
    Applies to all LeadIT versions (not FlexX-GUIs!), and all MOE versions with a FlexX/-SIS interface:To make LeadIT work with MOE, please use the two patch files attached below.Simply copy them to the MOE directory tree into the folder <your moe installation>/lib/svl/patch(On windows use ba ...

  8. questionIs the license restricted to a certain CPU, and: what is the difference between a node-locked and a floating license?
    A license can either be bound to a single node (= "node locked license") or to a dedicated license server (= "floating license"). A floating license allows a flexible administration and usage as it ishosted by a server and distributed to compute clients on demand. Such a servermay manage the li ...

  9. questionTroubleshooting: FlexX's parallel runs don't go as I expect
    execute pvm at the command line type add <a hostename> does this work properly? if not: · check your PVM installation · clean up all pvm files in /tmp · kill all pvm daemons on all relevant machines if yes: · check the paths to the FlexX executable in config.d ...

  10. questionUbuntu Graphics Bug
    Due to a bug in the Ubuntu generic graphics card drivers we could reproduce an X-server termination resulting in a new login screen. The graphics card drivers shipped with Ubuntu do not correctly handle the "Direct Rendering Infrastructure". For remedy, please install a native driver from ...

  11. questionWhat is the basic principle of parallel computing with BioSolveIT Software?
    Running FlexX/S or FTrees in parallel mode is easy! We use PVM (parallel virtual machine) to realize parallel computing. PVM is a server-client-like architecture. you must define (in config.dat): server node compute nodes compute priorities start a PVM daemon (pvmd) on the server node th ...

  12. questionWhat is the difference between CORINA and CORINA_F?
    CORINA_F and CORINA are two different tools both developed by Molecular Networks GmbH. All functionality covered by CORINA-F is also in CORINA . For FlexX/SIS docking, CORINA_F is sufficient as long as you have another tool for minimizing input structures prior to docking. CORINA -F can be obta ...

Last modified Thursday, 09. Feb 2012 03:45 CET by WebMaster