From: Nathan A. Baker <baker@ch...> - 2004-04-14 12:34:53
Hi David --
These flags are for version 8 of the Intel compilers; the version 7
flags are similar but a slightly different syntax.
David Zhang <dzhang@...> (04-13-2004 22:13:10-0700):
>I used the flags you suggested on your website, but it seems icc does
>not recognize these flags:
>configure:2338: icc -fast -arch pn4 -static-libcxa conftest.c >&5
>icc: Command line warning: ignoring unknown option '-fast'
>icc: Command line warning: ignoring unknown option '-arch'
>ld: cannot open pn4: No such file or directory
>I also have a question for "export F77=ifort". Is "ifort" a new version
>of ifc? I am using the compiler70.
>Nathan A. Baker wrote:
>>I am pleased to announce the availability of APBS 0.3.1 which fixes a
>>bug in parallel focusing calculations. Specifically, a bug was
>>introduced between APBS 0.2.6 and 0.3.0 which caused parallel focusing
>>calculations to give incorrect results when performed with "chgm 2" or
>>Additionally, this version of APBS has the following changes:
>> - NEW FEATURES
>> * New APBS tutorial
>> * New tools/python/vgrid/mergedx.py script to merge dx files
>> generated from parallel APBS runs back into a single dx file.
>> - BUG FIXES
>> * Fixed bug in parallel calculations where atoms or points on a
>> border between two processors were not included. Modified
>> setup algorithm for parallel calculations to allow partitions
>> in order to obtain grid points and spacing from the global grid
>> * Modified extEnergy function to work with parallel calculations,
>> giving better accuracy.
>>As usual, more information about APBS can be obtained from
>>Thank you for your interest in APBS.
End of message from David Zhang.
Nathan A. Baker, Assistant Professor
Washington University in St. Louis School of Medicine
Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology
700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110
Phone: (314) 362-2040, Fax: (314) 362-0234
PGP key: http://cholla.wustl.edu/~baker/pubkey.asc