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Viewing changes to src/tools/ga-5-1/armci/tcgmsg/ipcv4.0/defglobals.h

  • Committer: Package Import Robot
  • Author(s): Michael Banck, Daniel Leidert, Andreas Tille, Michael Banck
  • Date: 2013-07-04 12:14:55 UTC
  • mfrom: (1.1.2)
  • Revision ID: package-import@ubuntu.com-20130704121455-5tvsx2qabor3nrui
Tags: 6.3-1
http://bugs.debian.org/696361
* New upstream release.
* Fixes anisotropic properties (Closes: #696361).
* New features include:
  + Multi-reference coupled cluster (MRCC) approaches
  + Hybrid DFT calculations with short-range HF 
  + New density-functionals including Minnesota (M08, M11) and HSE hybrid
    functionals
  + X-ray absorption spectroscopy (XAS) with TDDFT
  + Analytical gradients for the COSMO solvation model
  + Transition densities from TDDFT 
  + DFT+U and Electron-Transfer (ET) methods for plane wave calculations
  + Exploitation of space group symmetry in plane wave geometry optimizations
  + Local density of states (LDOS) collective variable added to Metadynamics
  + Various new XC functionals added for plane wave calculations, including
    hybrid and range-corrected ones
  + Electric field gradients with relativistic corrections 
  + Nudged Elastic Band optimization method
  + Updated basis sets and ECPs 

[ Daniel Leidert ]
* debian/watch: Fixed.

[ Andreas Tille ]
* debian/upstream: References

[ Michael Banck ]
* debian/upstream (Name): New field.
* debian/patches/02_makefile_flags.patch: Refreshed.
* debian/patches/06_statfs_kfreebsd.patch: Likewise.
* debian/patches/07_ga_target_force_linux.patch: Likewise.
* debian/patches/05_avoid_inline_assembler.patch: Removed, no longer needed.
* debian/patches/09_backported_6.1.1_fixes.patch: Likewise.
* debian/control (Build-Depends): Added gfortran-4.7 and gcc-4.7.
* debian/patches/10_force_gcc-4.7.patch: New patch, explicitly sets
  gfortran-4.7 and gcc-4.7, fixes test suite hang with gcc-4.8 (Closes:
  #701328, #713262).
* debian/testsuite: Added tests for COSMO analytical gradients and MRCC.
* debian/rules (MRCC_METHODS): New variable, required to enable MRCC methods.

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src/tools/ga-5-1/armci/tcgmsg/ipcv4.0/defglobals.h
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/* $Header: /tmp/hpctools/ga/tcgmsg/ipcv4.0/defglobals.h,v 1.7 2000-10-12 22:43:45 d3g681 Exp $ */
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#ifndef SNDRCVP
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#include "sndrcvP.h"
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#endif
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/* Actual definition of these globals ... need this once in
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   any executable ... included by cluster.c */
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/*********************************************************
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  Global information and structures ... all begin with SR_
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  ********************************************************/
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long SR_n_clus;                   /* No. of clusters */
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long SR_n_proc;                   /* No. of processes excluding dummy
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                                     master process */
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int  SR_socks[MAX_PROCESS];
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int  SR_socks_proc[MAX_PROCESS];
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int  SR_nsock;
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long SR_using_shmem;
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long SR_clus_id;                  /* Logical id of current cluster */
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long SR_proc_id;                  /* Logical id of current process */
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long SR_debug;                    /* flag for debug output */
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long SR_parallel;               /* True if job started with parallel */
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long SR_exit_on_error;            /* flag to exit on error */
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long SR_error;                    /* flag indicating error has been called
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                                     with SR_exit_on_error == FALSE */
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long SR_numchild;                   /* no. of forked processes */
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long SR_pids[MAX_SLAVE];          /* pids of forked processes */
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/* This is used to store info from the PROCGRP file about each
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   cluster of processes */
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struct cluster_info_struct SR_clus_info[MAX_CLUSTER];
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struct process_info_struct SR_proc_info[MAX_PROCESS];