From f9535361328ccf8eee4916916acef5488656cdaf Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 17 Jan 2008 23:46:47 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1386 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MAKE/Makefile.crockett | 2 +- src/MAKE/Makefile.debian | 2 +- src/MAKE/Makefile.g++ | 2 +- src/MAKE/Makefile.g++_meam | 2 +- src/MAKE/Makefile.g++_poems | 2 +- src/MAKE/Makefile.g++_poems_meam | 2 +- src/MAKE/Makefile.linux | 2 +- src/MAKE/Makefile.linux_poems_meam | 2 +- src/MAKE/Makefile.odin | 2 +- src/MAKE/Makefile.pg | 2 +- src/MAKE/Makefile.pg_meam | 2 +- src/MAKE/Makefile.ydl | 2 +- src/dump.cpp | 2 +- src/fix_tmd.cpp | 2 +- src/output.cpp | 2 +- src/read_data.cpp | 2 +- src/thermo.cpp | 6 +++--- 17 files changed, 19 insertions(+), 19 deletions(-) diff --git a/src/MAKE/Makefile.crockett b/src/MAKE/Makefile.crockett index a0615c2736..5aa863ff85 100755 --- a/src/MAKE/Makefile.crockett +++ b/src/MAKE/Makefile.crockett @@ -6,7 +6,7 @@ SHELL = /bin/sh # System-specific settings CC = mpiCC -CCFLAGS = -g -O -DFFT_NONE -DGZIP +CCFLAGS = -g -O -DFFT_NONE -DLAMMPS_GZIP DEPFLAGS = -M LINK = mpiCC LINKFLAGS = -g -O diff --git a/src/MAKE/Makefile.debian b/src/MAKE/Makefile.debian index 40d290a99e..031024737c 100644 --- a/src/MAKE/Makefile.debian +++ b/src/MAKE/Makefile.debian @@ -6,7 +6,7 @@ SHELL = /bin/sh # System-specific settings CC = g++ -CCFLAGS = -g -O -I/usr/lib/mpich/include/ -DFFT_FFTW -DGZIP +CCFLAGS = -g -O -I/usr/lib/mpich/include/ -DFFT_FFTW -DLAMMPS_GZIP DEPFLAGS = -M LINK = g++ LINKFLAGS = -g -O -L/usr/lib/mpich/lib diff --git a/src/MAKE/Makefile.g++ b/src/MAKE/Makefile.g++ index 26a373f8e2..9429b457e3 100755 --- a/src/MAKE/Makefile.g++ +++ b/src/MAKE/Makefile.g++ @@ -5,7 +5,7 @@ SHELL = /bin/sh # System-specific settings CC = g++ -CCFLAGS = -g -O -DFFT_FFTW -DGZIP -DMPICH_IGNORE_CXX_SEEK +CCFLAGS = -g -O -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK DEPFLAGS = -M LINK = g++ LINKFLAGS = -g -O diff --git a/src/MAKE/Makefile.g++_meam b/src/MAKE/Makefile.g++_meam index 4af1a07812..5377206cf7 100755 --- a/src/MAKE/Makefile.g++_meam +++ b/src/MAKE/Makefile.g++_meam @@ -6,7 +6,7 @@ SHELL = /bin/sh # System-specific settings CC = g++ -CCFLAGS = -g -O -DFFT_FFTW -DGZIP -DMPICH_IGNORE_CXX_SEEK +CCFLAGS = -g -O -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK DEPFLAGS = -M LINK = g++ LINKFLAGS = -g -O -L/home/sjplimp/lammps/lib/meam \ diff --git a/src/MAKE/Makefile.g++_poems b/src/MAKE/Makefile.g++_poems index e471d7f686..2b7666c493 100755 --- a/src/MAKE/Makefile.g++_poems +++ b/src/MAKE/Makefile.g++_poems @@ -7,7 +7,7 @@ SHELL = /bin/sh CC = g++ CCFLAGS = -g -O -I/home/sjplimp/lammps/lib/poems \ - -DFFT_FFTW -DGZIP -DMPICH_IGNORE_CXX_SEEK + -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK DEPFLAGS = -M LINK = g++ LINKFLAGS = -g -O -L/home/sjplimp/lammps/lib/poems diff --git a/src/MAKE/Makefile.g++_poems_meam b/src/MAKE/Makefile.g++_poems_meam index 02cd8354b0..bb0299af66 100644 --- a/src/MAKE/Makefile.g++_poems_meam +++ b/src/MAKE/Makefile.g++_poems_meam @@ -7,7 +7,7 @@ SHELL = /bin/sh CC = g++ CCFLAGS = -g -O -I/home/sjplimp/lammps/lib/poems \ - -DFFT_FFTW -DGZIP -DMPICH_IGNORE_CXX_SEEK + -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK DEPFLAGS = -M LINK = g++ LINKFLAGS = -g -O -L/home/sjplimp/lammps/lib/poems \ diff --git a/src/MAKE/Makefile.linux b/src/MAKE/Makefile.linux index 112c05994f..636588178b 100755 --- a/src/MAKE/Makefile.linux +++ b/src/MAKE/Makefile.linux @@ -5,7 +5,7 @@ SHELL = /bin/sh # System-specific settings CC = icc -CCFLAGS = -O -DFFT_FFTW -DGZIP -DMPICH_IGNORE_CXX_SEEK +CCFLAGS = -O -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK DEPFLAGS = -M LINK = icc LINKFLAGS = -O diff --git a/src/MAKE/Makefile.linux_poems_meam b/src/MAKE/Makefile.linux_poems_meam index 1cf22f416d..baab74a90f 100755 --- a/src/MAKE/Makefile.linux_poems_meam +++ b/src/MAKE/Makefile.linux_poems_meam @@ -7,7 +7,7 @@ SHELL = /bin/sh CC = icc CCFLAGS = -O -I/home/sjplimp/lammps/lib/poems \ - -DFFT_FFTW -DGZIP -DMPICH_IGNORE_CXX_SEEK + -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK DEPFLAGS = -M LINK = icc LINKFLAGS = -O -L/home/sjplimp/lammps/lib/poems \ diff --git a/src/MAKE/Makefile.odin b/src/MAKE/Makefile.odin index c49301c230..f501463520 100755 --- a/src/MAKE/Makefile.odin +++ b/src/MAKE/Makefile.odin @@ -6,7 +6,7 @@ SHELL = /bin/sh # System-specific settings CC = g++ -CCFLAGS = -O -I/opt/mpich-mx/include -DFFT_NONE -DGZIP +CCFLAGS = -O -I/opt/mpich-mx/include -DFFT_NONE -DLAMMPS_GZIP DEPFLAGS = -M LINK = g++ LINKFLAGS = -O -L/opt/mpich-mx/lib -L/opt/mx/lib diff --git a/src/MAKE/Makefile.pg b/src/MAKE/Makefile.pg index f65dc718af..6168d2458e 100644 --- a/src/MAKE/Makefile.pg +++ b/src/MAKE/Makefile.pg @@ -8,7 +8,7 @@ SHELL = /bin/sh CC = pgCC -fast CCFLAGS = -I/usr/local/mpich-1.2.6/pg/include \ -I/usr/local/include \ - -DFFT_FFTW -DGZIP + -DFFT_FFTW -DLAMMPS_GZIP DEPFLAGS = -M LINK = pgCC LINKFLAGS = -L/usr/local/mpich-1.2.6/pg/lib \ diff --git a/src/MAKE/Makefile.pg_meam b/src/MAKE/Makefile.pg_meam index 68d69de860..ae3ff92686 100644 --- a/src/MAKE/Makefile.pg_meam +++ b/src/MAKE/Makefile.pg_meam @@ -8,7 +8,7 @@ SHELL = /bin/sh CC = pgCC -fast CCFLAGS = -I/usr/local/mpich-1.2.6/pg/include \ -I/usr/local/include \ - -DFFT_FFTW -DGZIP + -DFFT_FFTW -DLAMMPS_GZIP DEPFLAGS = -M LINK = pgCC LINKFLAGS = -L/usr/local/mpich-1.2.6/pg/lib \ diff --git a/src/MAKE/Makefile.ydl b/src/MAKE/Makefile.ydl index 06f7a2c47f..8cf469d50d 100644 --- a/src/MAKE/Makefile.ydl +++ b/src/MAKE/Makefile.ydl @@ -8,7 +8,7 @@ SHELL = /bin/sh CC = xlc -q64 CCFLAGS = -g -O -I/opt/mpich/include \ -I/usr/local/include -L/opt/mpich/lib64 \ - -DFFT_FFTW -DGZIP + -DFFT_FFTW -DLAMMPS_LAMMPS_GZIP DEPFLAGS = -M LINK = xlc -q64 LINKFLAGS = -g -O -L/opt/mpich/lib64 \ diff --git a/src/dump.cpp b/src/dump.cpp index 736e04da8e..8ac2724ef5 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -285,7 +285,7 @@ void Dump::openfile() if (me == 0 || multiproc) { if (compressed) { -#ifdef GZIP +#ifdef LAMMPS_GZIP char gzip[128]; sprintf(gzip,"gzip -6 > %s",filecurrent); fp = popen(gzip,"w"); diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp index 5b41637ba8..14e612e020 100644 --- a/src/fix_tmd.cpp +++ b/src/fix_tmd.cpp @@ -529,7 +529,7 @@ void FixTMD::open(char *file) if (suffix > file && strcmp(suffix,".gz") == 0) compressed = 1; if (!compressed) fp = fopen(file,"r"); else { -#ifdef GZIP +#ifdef LAMMPS_GZIP char gunzip[128]; sprintf(gunzip,"gunzip -c %s",file); fp = popen(gunzip,"r"); diff --git a/src/output.cpp b/src/output.cpp index 7d7f44263d..5e7087b13a 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -55,7 +55,7 @@ Output::Output(LAMMPS *lmp) : Pointers(lmp) newarg[2] = (char *) "temp"; modify->add_compute(3,newarg); - newarg[0] = (char *) "thermo_pressure"; + newarg[0] = (char *) "thermo_press"; newarg[1] = (char *) "all"; newarg[2] = (char *) "pressure"; newarg[3] = (char *) "thermo_temp"; diff --git a/src/read_data.cpp b/src/read_data.cpp index 7903c4bc62..bfeb3abb80 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -1201,7 +1201,7 @@ void ReadData::open(char *file) if (suffix > file && strcmp(suffix,".gz") == 0) compressed = 1; if (!compressed) fp = fopen(file,"r"); else { -#ifdef GZIP +#ifdef LAMMPS_GZIP char gunzip[128]; sprintf(gunzip,"gunzip -c %s",file); fp = popen(gunzip,"r"); diff --git a/src/thermo.cpp b/src/thermo.cpp index f16c63696a..155d961136 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -125,7 +125,7 @@ Thermo::Thermo(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) internal_drot = internal_grot = 0; id_temp = (char *) "thermo_temp"; - id_press = (char *) "thermo_pressure"; + id_press = (char *) "thermo_press"; id_pe = (char *) "thermo_pe"; id_drot = (char *) "thermo_rotate_dipole"; id_grot = (char *) "thermo_rotate_gran"; @@ -410,12 +410,12 @@ void Thermo::modify_params(int narg, char **arg) error->warning("Temperature for thermo pressure is not for group all"); // reset id_pre of pressure to new temp ID - // either pressure currently being used by thermo or "thermo_pressure" + // either pressure currently being used by thermo or "thermo_press" if (index_press >= 0) { icompute = modify->find_compute(id_compute[index_press]); if (icompute < 0) error->all("Press ID for thermo does not exist"); - } else icompute = modify->find_compute((char *) "thermo_pressure"); + } else icompute = modify->find_compute((char *) "thermo_press"); delete [] modify->compute[icompute]->id_pre; modify->compute[icompute]->id_pre = new char[n];