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remove DEC OS/F support

Browse source 
DEC OS/F is an obsolete Unix operating system
(https://en.wikipedia.org/wiki/Tru64_UNIX).
This commit is contained in:
Jeff Hammond 2018-08-10 10:44:41 -07:00
parent 64aee9051e
commit 36c95e79c8
21 changed files with 13 additions and 315 deletions
Download patch file Download diff file Expand all files Collapse all files

2
INSTALL
View file

@ -438,7 +438,7 @@ OPTIMIZATION TIPS:
nwchem uses 64-bit integers (i.e. integer*8) on 64-bit platforms,
most of the vendors optimized BLAS libraries used 32-bit integers.
BLAS libraries not supporting 64-bit integers:
CXML (DECOSF), ESSL (LAPI64), MKL (LINUX64/ia64), ACML(LINUX64/x86_64),
ESSL (LAPI64), MKL (LINUX64/ia64), ACML(LINUX64/x86_64),
Goto/Flame(LINUX64).
A methods is now available to link against the libraries mentioned above;
please do the following:

4
contrib/getmem.nwchem
View file

@ -31,10 +31,6 @@ else if ($NWCHEM_TARGET == MACX64) then
set nproc = `sysctl -n hw.ncpu`
set memtot = `sysctl -n hw.memsize`
@ memtot = ($memtot / 1024)
else if ($NWCHEM_TARGET == DECOSF) then
set nproc = `/usr/sbin/psrinfo | wc -l `
set memtot = ` /usr/bin/vmstat -P | egrep "Total Physical Memory ="| sed -e "s/Total Physical Memory =//"| sed -e "s/.00 M//"`
@ memtot = ($memtot * 1024)
else if ($NWCHEM_TARGET == SGI_N32 || $NWCHEM_TARGET == SGITFP ) then
set a=`/sbin/hinv -c processor|head -1`
set nproc=$a[1]

6
contrib/pbs/pbsnw
View file

@ -36,12 +36,6 @@ if ($?NWCHEM_EXECUTABLE) then
set NWCHEM = $NWCHEM_EXECUTABLE
if (-e $NWCHEM) goto got_default_executable
endif
#rak#if ($?NWCHEM_TOP) then
#rak##:debug:
#rak# echo "resolved from environment variable NWCHEM_TOP"
#rak# set NWCHEM = $NWCHEM_TOP/bin/DECOSF/nwchem
#rak# if (-e $NWCHEM) goto got_default_executable
#rak#endif
set NWCHEM = /usr/local/bin/nwchem
if (! -e $NWCHEM) set NWCHEM = "no-default-available-for-nwchem"
got_default_executable:

1
doc/prog/instaport.tex
View file

@ -45,7 +45,6 @@ on the following platforms.
-----------------------------------------------------------------
SOLARIS Sun *** Solaris 2.X double
IBM IBM RS/6000 *** AIX 4.X double
DECOSF DEC AXP *** Tru64 4.0-5.0 double
SGI_N32 SGI 64 bit os *** IRIX 6.5 double
using 32 ints
SGITFP SGI 64 bit os *** IRIX 6.5 double

5
src/config/makefile.h
View file

@ -519,11 +519,6 @@ ifeq ($(TARGET),SGI_N32)
@exit
endif
ifeq ($(TARGET),DECOSF)
@echo DEPRECATED
@exit
endif
ifeq ($(TARGET),HPUX)
#
# HPUX 11.0

2
src/fft/pfft1.0/pfft/datasize.h
View file

@ -37,7 +37,7 @@
INTEGER NBYTEI, NBYTED
#if defined(KSR) || defined(SGI) || defined(CRAY_T3E) || defined(DECOSF)|| defined(EXT_INT)
#if defined(KSR) || defined(SGI) || defined(CRAY_T3E) || defined(EXT_INT)
PARAMETER( NBYTED = 8,
$ NBYTEI = 8 )
#else

2
src/inp/inp.F
View file

@ -15,7 +15,7 @@ c
data errmsg /' '/
data input_line /0/
data xblnk /' '/
#if defined(DECOSF) || defined(SGITFP) || defined(SGI_N32) || defined(CRAY) || defined(HPUX) || defined(WIN32) || defined(PSCALE) || defined(__FLANG) || ( __GNUC__ >= 4)
#if defined(SGITFP) || defined(SGI_N32) || defined(CRAY) || defined(HPUX) || defined(WIN32) || defined(PSCALE) || defined(__FLANG) || ( __GNUC__ >= 4)
data xtab /' '/ ! Tab ... no backslash necessary
#elif (defined(LINUX) || defined(MACX)) && !defined(PGLINUX) && !defined(XLFLINUX) &&!( __GNUC__ >= 4)
data xtab /9/ ! Tab ... g77 has trouble with escape sequence

3
src/input/memory_def.F
View file

@ -117,9 +117,6 @@ C
#elif defined(SGITFP)
* Parameter ( Total_Dflt = 11796480) ! 90 MB on 128 MB node (sgitfp)
Parameter ( Total_Dflt = 52428800) ! 400 MB on 512 MB
#elif defined(DECOSF)
* Parameter ( Total_Dflt = 11796480) ! 90 MB on 128 MB node (decosf)
Parameter ( Total_Dflt = 52428800) ! 400 MB on 512 MB
#elif defined(SGI) && ! defined(SGITFP)
* Parameter ( Total_Dflt = 11796480) ! 90 MB on 128 MB node (sgi)
Parameter ( Total_Dflt = 52428800) ! 400 MB on 512 MB

2
src/nwchem.F
View file

@ -208,7 +208,7 @@ c
c Trap SIGFPE after GA to override handler
c
***** call ieeetrap()
#if defined(DECOSF) || defined(LINUXALPHA)
#if defined(LINUXALPHA)
call dec_fpe ! To avoid underflow problems on Alpha in Texas
#endif
#ifdef CRAY_T3D

2
src/nwdft/dftgrad/dftg_gridsswold.F
View file

@ -246,7 +246,7 @@ c
endif
if(mu.lt.0d0) sk=1d0-sk
else
#if defined(SGI)|| defined (DECOSF) ||defined (WIN32)||defined(LINUX)||defined(CRAY)
#if defined(SGI) || defined (WIN32) || defined(LINUX) || defined(CRAY)
sk=0.5d0*derfc(mu1)
#else
sk=0.5d0*erfc(mu1)

4
src/nwdft/grid/grid_rtrunc.F
View file

@ -232,7 +232,7 @@ c I(k) = [(k-1)*I(k-2) + r^(k-1)*exp(-alpha*r^2)]/(2*alpha)
c
integer i, ilo
double precision value,valexp,dexpo
#if defined(SGI) || defined(DECOSF) || defined(WIN32) ||defined(LINUX)
#if defined(SGI) || defined(WIN32) ||defined(LINUX)
double precision derfc
#else
double precision erfc
@ -246,7 +246,7 @@ c
if(dexpo.gt.40d0) then
value=0d0
else
#if defined(SGI) || defined(DECOSF) || defined(WIN32) ||defined(LINUX)
#if defined(SGI) || defined(WIN32) ||defined(LINUX)
value = 0.5d0*sqrt(4.0d0*atan(1.0d0)/alpha)*
$ derfc(dexpo)
#else

4
src/nwdft/grid/grid_utils.F
View file

@ -476,7 +476,7 @@ c I(k) = [(k-1)*I(k-2) + r^(k-1)*exp(-alpha*r^2)]/(2*alpha)
c
integer i, ilo
double precision value
#if defined(SGI) || defined(DECOSF) || defined(WIN32) ||defined(LINUX)
#if defined(SGI) || defined(WIN32) ||defined(LINUX)
double precision derfc
#else
double precision erfc
@ -485,7 +485,7 @@ c
ilo = mod(k,2)
c
if (ilo .eq. 0) then
#if defined(SGI) || defined(DECOSF) || defined(WIN32) ||defined(LINUX)
#if defined(SGI) || defined(WIN32) ||defined(LINUX)
value = 0.5d0*sqrt(4.0d0*atan(1.0d0)/alpha)*
$ derfc(sqrt(alpha)*r)
#else

4
src/nwdft/include/xc_erftab.fh
View file

@ -7,7 +7,7 @@
c
c SSF original 0.64d0 value for polynomial function
c
#if defined(SGI)|| defined (DECOSF) || defined(WIN32) || defined(LINUX)|| defined(CRAY)
#if defined(SGI)|| defined(WIN32) || defined(LINUX)|| defined(CRAY)
double precision derfc
#ifdef PSCALE
external derfc
@ -20,7 +20,7 @@ c
, alpha_erf2=1d0/0.28d0,
, eps=0.002d0)
double precision erf1,erf2,taux,erfcc,erfcco,erf1c,erf2c
#if defined(SGI)|| defined (DECOSF) ||defined (WIN32)|| defined(LINUX)|| defined(CRAY)
#if defined(SGI)|| defined (WIN32)|| defined(LINUX)|| defined(CRAY)
erf1(x)=0.5d0*derfc((x/(1d0-x*x))*alpha_erf1)
erf2(x)=0.5d0*derfc((x/(1d0-x*x)**2)*alpha_erf2)
#else

15
src/peigs/DEFS
View file

@ -474,21 +474,6 @@ peigs_FC += -WF,-Iinclude,-DIBM,-DSTD_DBL,-I$(peigs_HDIR),-D$(peigs_CPU),-D$(pe
peigs_LAPACKLIB = -llapack -lessl_r
endif
ifeq ($(peigs_TARGET),DECOSF)
#alpha with /tcgmsg
peigs_CPU = ALPHA
peigs_COMM = TCGMSG
peigs_CPP = $(CPP) -D${CPU} -DSTD_DBL -P -DDECOSF
peigs_CODEOBJ = DBLE
peigs_CC += -D${peigs_CPU} -DSTD_DBL -O3 -DDECOSF -tune host -arch host
peigs_FC += -O4 -DSTD_DBL -D_fastmath -O3 -D$(peigs_COMM) -DDECOSF -tune host -arch host
ifdef USE_INTEGER4
peigs_CPP += -DSTD_INT
peigs_CC += -DSTD_INT
peigs_FC += -DSTD_INT
endif
endif
ifeq ($(peigs_TARGET),MACX)
#MACOSX
ifeq ($(_CPU),i486)

10
src/peigs/DEFS.nwchem
View file

@ -397,16 +397,6 @@ endif
endif
ifeq ($(peigs_TARGET),DECOSF)
#alpha with /tcgmsg
peigs_CPU = ALPHA
peigs_COMM = TCGMSG
peigs_CPP = $(CPP) -D${CPU} -DSTD_DBL -P -DDECOSF
peigs_CODEOBJ = DBLE
peigs_CC += -D${CPU} -DSTD_DBL -D_fastmath -O3 -DDECOSF
peigs_FC += -O3 -D${CPU} -DSTD_DBL -D_fastmath -O3 -D$(peigs_COMM)
endif
ifeq ($(peigs_TARGET),LINUX)
#
# Linux running on an x86 using f77 on f2c

71
src/peigs/DEFS.release
View file

@ -798,77 +798,6 @@ LAPACKLIB = ../liblapack.a
CODEOBJ = DBLE
endif
ifeq ($(TARGET),DECOSF)
#alpha/tcgmsg
AR = ar r
RANLIB = echo
CC = cc -I$(HDIR) -DALPHA -DSTD_DBL -D_fastmath -O3
F77 = f77 -I$(HDIR) -i8 -DTCGMSG -O3
CCF77 = $(F77)
OPT =
OPT =
OPTC =
OPTC =
LINK = $(F77)
# 64 bit but using r8 compiler flag
CODEOBJ = DBLE
CUBIX_OPTS =
NODE_EXT = o
HOST_EXT = out
HOST =
NODE_TYPE = alpha
CPU =
COMM_PKG = TCGMSG
IO_STYLE = FILE_IO
# zodiac commlib
COMMLIB = $(HOME)/g/tcgmsg/ipcv4.0/libtcgmsg.a
CTOFLIB =
BLASLIB = $(PEIGSDIR)/libblas.a
LAPACKLIB = $(PEIGSDIR)/liblapack.a
HOST_EXT = out
CPP = /usr/bin/cpp -P -C -D${COMM_PKG} -D${IO_STYLE} -DALPHA -DSTD_DBL -I$(HDIR)
endif
ifeq ($(TARGET),DECOSF_MPI)
PEIGS_MPI_USE = 1
#alpha/mpich
AR = ar r
RANLIB = echo
CC = cc -I$(HDIR) -DALPHA -DSTD_INT -DSTD_DBL -O3 -D_FASTMATH
F77 = f77 -I$(HDIR) -DMPI -O3 -math_library fast
CCF77 = $(F77)
OPT =
OPT =
OPTC =
OPTC =
LINK = $(F77)
CODEOBJ = DBLE
CUBIX_OPTS =
NODE_EXT = o
HOST_EXT = out
HOST =
NODE_TYPE = alpha
CPU =
COMM_PKG = MPI
IO_STYLE = FILE_IO
# zodiac commlib
COMMLIB = $(HOME)/g/tcgmsg/ipcv4.0/libtcgmsg.a
CTOFLIB =
BLASLIB = $(PEIGSDIR)/libblas.a
LAPACKLIB = $(PEIGSDIR)/liblapack.a
HOST_EXT = out
CPP = /usr/bin/cpp -P -C -D${COMM_PKG} -D${IO_STYLE} -DALPHA -DSTD_DBL -I$(HDIR) -DDEBUGMPI -DSTD_INT
ifdef PEIGS_MPI_USE
COMM_PKG = MPI
MPIR_HOME = $(HOME)/mpich
MPI_INCLUDE = -I$(MPIR_HOME)/include
MPI_COMM = ch_p4
COMMLIB = -L$(MPIR_HOME)/lib/$(NODE_TYPE)/$(MPI_COMM) -lmpi
endif
endif
ifeq ($(TARGET),HP)
# hp9000/700s
AR = ar r

2
src/peigs/h/blas_lapack.data
View file

@ -1,7 +1,7 @@
*
* $Id$
*
#if defined(DECOSF) || defined(LINUX64)
#if defined(LINUX64)
double precision DLAMCHE, DLAMCHP, DLAMCHS, DLAMCHU, DLAMCHB
real SLAMCHE, SLAMCHP, SLAMCHS, SLAMCHU, SLAMCHB
data DLAMCHE/1.1102230246251565D-16/

3
src/python/nwchem_wrap.c
View file

@ -2,9 +2,6 @@
$Id$
*/
#include <Python.h>
#if defined(DECOSF)
#include <alpha/varargs.h>
#endif
#include <stdio.h>
#include <stdlib.h>
#include <string.h>

60
web/support/NWChem_FAQ.html
View file

@ -134,13 +134,6 @@
<li><a href="#win32compile">How do I compile NWChem on Windows NT and
Windows 98? </a></li>
</ol>
<li><a href="#decosf"> DECOSF</a></li>
<ol>
<li><a href="#decsegv">What is causing a segmentation violation in DECOSF 4.0? </a></li>
<li><a href="#decmainit">What is causing the <tt>ma_init failed</tt> error message? </a></li>
<li><a href="#decsmpopt">How to fix the segfault in single node runs on
HP AlphaServer SC 2.5? </a></li>
</ol>
<li><a href="#sgi"> SGI</a></li>
<ol>
<li><a href="#sgimpi">How can I improve parallel performances under SGI? </a></li>
@ -1959,59 +1952,6 @@ nmake
The name of the executable is <tt> nw32.exe </tt>
</p>
<hr>
<br><br>
<p>
<a name="decosf"></a>
<h3>DECOSF</h3>
</p>
<hr>
<p>
<a name="decsegv"></a>
<font color="purple">What is causing a segmentation violation in DECOSF 4.0?</font>
<p>
The <tt>-automatic</tt> Fortran compiler option is causing this problem under DECOSF 4.0 using version 5.2 of the f77 compiler. To get a working executable,
you need to edit <tt>$NWCHEM_TOP/src/config/makefile.h</tt> at line <tt>1051</tt>. The modified line 1051 must therefore be
<p><tt>FOPTIONS = -i8 -align dcommons -math_library fast -fpe2 -check
nounderflow \</tt>
<br><tt>-check nopower -check nooverflow -warn argument_checking
-warn unused #-automatic</tt>
</p>
<hr>
<p>
<a name="decmainit"></a>
<font color="purple">What is causing the <tt>ma_init failed</tt> error message?</font>
<p>
If NWChem crashes with the error message
<pre>
MA error: MA_init: could not allocate XXXXXXXXX bytes
------------------------------------------------------------------------
nwchem.F: ma_init failed (ga_uses_ma=T) 911
</pre>
this is most likely due to the act the default <tt>datasize</tt> on DECOSF is too small
(131072 kbytes). To increase this value under csh, please type
<pre>
limit datasize unlimited
</pre>
</p>
<hr>
<p>
<a name="decsmpopt"></a>
<font color="purple">How to fix the segfault in single node runs on
HP AlphaServer SC 2.5?</font>
<p>
To fix NWChem crashes with a segfault early on with a segfault in single
node runs, please add the following environmental variable to your settings:
<pre>
</pre>
<pre>
setenv SHMEM_SMP_ENABLE 0
</pre>
</p>
<hr>
<br><br>
<p>

1
web/support/faq/NWChem_FAQ.html
View file

@ -40,7 +40,6 @@
<li> <a href="ibm_sp.html">IBM SP</a></li>
<li> <a href="ibm.html">IBM</a></li>
<li> <a href="windows.html">Windows 32</a></li>
<li> <a href="decosf.html">DECOSF</a></li>
<li> <a href="sgi.html">SGI</a></li>
<li> <a href="itanium.html">Itanium</a></li>
<li> <a href="chemistry.html">Useful Chemistry Links</a></li>

123
web/support/faq/decosf.html
View file

@ -1,123 +0,0 @@
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"
"http://www.w3.org/TR/html4/loose.dtd">
<HTML>
<HEAD>
<TITLE>NWChem Frequently Asked Questions</TITLE>
<link rel="stylesheet" type="text/css" href="../../shared/nwchem_basic.css">
</HEAD>
<body text="#000000" bgcolor="#FFFFFF" link="blue" alink="blue" vlink="blue">
<table width="650"><tr><td>
<br>
<table>
<tbody>
<tr>
<td align="left" width="325"><img src="../../images/nwchem_logo_dark.gif" border=0 width=200 alt="NWChem - computational chemistry on parallel computers"></td>
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</table>
<br><br>
<h1>NWChem FAQ</h1>
<p><h2>DECOSF</h2></p>
<!--DO NOT REMOVE Begin Question and End Question Comments.-->
<ul>
<!--Begin Question-->
<li><a href="#0">What is causing a segmentation violation in DECOSF 4.0? </a></li>
<li><a href="#1">What is causing the <tt>ma_init failed</tt> error message? </a></li>
<li><a href="#2">How to fix the segfault in single node runs on HP AlphaServer SC 2.5? </a></li>
<!--End Question-->
</ul>
<hr>
<p>
<a name="0"></a>
<font color="purple">What is causing a segmentation violation in DECOSF 4.0?</font>
<p>
The <tt>-automatic</tt> Fortran compiler option is causing this problem under DECOSF 4.0 using version 5.2 of the f77 compiler. To get a working executable,
you need to edit <tt>$NWCHEM_TOP/src/config/makefile.h</tt> at line <tt>1051</tt>. The modified line 1051 must therefore be
<p><tt>FOPTIONS = -i8 -align dcommons -math_library fast -fpe2 -check
nounderflow \</tt>
<br><tt>-check nopower -check nooverflow -warn argument_checking
-warn unused #-automatic</tt>
</p>
<hr>
<p>
<a name="1"></a>
<font color="purple">What is causing the <tt>ma_init failed</tt> error message?</font>
<p>
If NWChem crashes with the error message
<pre>
MA error: MA_init: could not allocate XXXXXXXXX bytes
------------------------------------------------------------------------
nwchem.F: ma_init failed (ga_uses_ma=T) 911
</pre>
this is most likely due to the act the default <tt>datasize</tt> on DECOSF is too small
(131072 kbytes). To increase this value under csh, please type
<pre>
limit datasize unlimited
</pre>
</p>
<hr>
<p>
<a name="2"></a>
<font color="purple">How to fix the segfault in single node runs on
HP AlphaServer SC 2.5?</font>
<p>
To fix NWChem crashes with a segfault early on with a segfault in single
node runs, please add the following environmental variable to your settings:
<pre>
</pre>
<pre>
setenv SHMEM_SMP_ENABLE 0
</pre>
</p>
<p>
<hr>
<font size="0">
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<hr>Contact: <a href="mailto:ms3distribution@emsl.pnl.gov">NWChem Support</a><br>
Updated: February 22, 2005
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