Collaborative Computational Project No. 4
Software for Macromolecular X-Ray Crystallography

Known Problems on OSF1 platforms

Contents

Problems with CCP4 version version independent

Programs problems

  1. Some programs (e.g. scala) fail to run, with error message "datasize exceeds process limits"
    CCP4 Version : version independent
    System : OSF/Tru64
    Level : Serious
    Status : Fixed

    This problem seems to be associated with Digital workstations, and is due to insufficient system resources being set as default.

    Follow this procedure and check at each stage if the program will run successfully. Type:

    limit

    and check that the datasize is at least as large as your installed RAM, and stacksize is 32768 bytes. If not, type

    unlimit
    limit


    and check again. If there has been no change to those parameters, contact your system manager and get her/him to set the following parameter values using dxkerneltuner; the system will have to be rebooted so that the new values can be used.


    run dxkerneltuner

    (a window pops up)

    select 'proc' - fifth from the bottom on the list. Press
    the 'select subsystem' button.

    (a second window pops up)

    Change the third item down 'per-proc-stack-size' from
    2097152 to 33554432 (=1024*32768) (i.e. equal to the
    value in the box just below).

    Change the 'per-proc-data-size' parameter from
    134217728 to 1073741824 (or your available memory????).

    press 'apply' then 'ok'

    You will probably get a warning about how dangerous
    this is...

    exit from dxkerneltuner.

    reboot.

    The following advice is lifted almost verbatim from the MOSFLM problems page - thanks to Harry Powell

Problems with CCP4 version 6.0

Installation problems

  1. Environment setting might cause a syntax error with /bin/sh
    CCP4 Version : 6.0
    System : OSF/Tru64
    Level : Trivial
    Status : Ongoing
    Bugzilla number : #1594

    This problem occurs mainly when using install.sh which in turn will use ccp4.setup-sh from the CCP4 include directory during the installation. The problems comes from having expressions like

    export X=something
    which /bin/sh will complains about.

Problems with CCP4 version 5.0.1

Installation problems

  1. Syntax problem in mtztona4
    CCP4 Version : 5.0.1
    System : Solaris , OSF/Tru64 , Linux
    Level : Annoying
    Status : Ongoing
    Bugzilla number : #660

    Sun, Alpha and Intel compilers may complain about \' to write quote in line 179 of mtztona4.f. I believe '''' is the correct Fortranic way of doing it (this is used extensively in refmac). \' is probably a widely-accepted extension.