From 8d699db7a887e5ba56b9c7862219a74ebc46f9e3 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 27 Jun 2013 21:41:33 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10113 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/DIPOLE/atom_vec_dipole.cpp | 2 ++ src/MOLECULE/atom_vec_angle.cpp | 2 ++ src/MOLECULE/atom_vec_bond.cpp | 2 ++ src/MOLECULE/atom_vec_full.cpp | 2 ++ src/MOLECULE/atom_vec_molecular.cpp | 2 ++ src/PERI/atom_vec_peri.cpp | 2 ++ src/USER-AWPMD/atom_vec_wavepacket.cpp | 2 ++ src/USER-EFF/atom_vec_electron.cpp | 2 ++ src/USER-SPH/atom_vec_meso.cpp | 2 ++ src/atom_vec_atomic.cpp | 2 ++ src/atom_vec_body.cpp | 2 ++ src/atom_vec_charge.cpp | 2 ++ src/atom_vec_ellipsoid.cpp | 2 ++ src/atom_vec_line.cpp | 2 ++ src/atom_vec_sphere.cpp | 2 ++ src/atom_vec_tri.cpp | 2 ++ 16 files changed, 32 insertions(+) diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp index 899b902039..ba7b41a12d 100644 --- a/src/DIPOLE/atom_vec_dipole.cpp +++ b/src/DIPOLE/atom_vec_dipole.cpp @@ -575,6 +575,7 @@ int AtomVecDipole::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = q[i]; @@ -660,6 +661,7 @@ int AtomVecDipole::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/MOLECULE/atom_vec_angle.cpp b/src/MOLECULE/atom_vec_angle.cpp index 909917dcac..f95ed9e83f 100644 --- a/src/MOLECULE/atom_vec_angle.cpp +++ b/src/MOLECULE/atom_vec_angle.cpp @@ -527,6 +527,7 @@ int AtomVecAngle::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = molecule[i]; @@ -649,6 +650,7 @@ int AtomVecAngle::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/MOLECULE/atom_vec_bond.cpp b/src/MOLECULE/atom_vec_bond.cpp index 8a03623993..430ec16366 100644 --- a/src/MOLECULE/atom_vec_bond.cpp +++ b/src/MOLECULE/atom_vec_bond.cpp @@ -506,6 +506,7 @@ int AtomVecBond::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = molecule[i]; @@ -612,6 +613,7 @@ int AtomVecBond::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/MOLECULE/atom_vec_full.cpp b/src/MOLECULE/atom_vec_full.cpp index 00efb3d916..b24ad15395 100644 --- a/src/MOLECULE/atom_vec_full.cpp +++ b/src/MOLECULE/atom_vec_full.cpp @@ -596,6 +596,7 @@ int AtomVecFull::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = q[i]; @@ -757,6 +758,7 @@ int AtomVecFull::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/MOLECULE/atom_vec_molecular.cpp b/src/MOLECULE/atom_vec_molecular.cpp index 8a46fa7711..073f31f483 100644 --- a/src/MOLECULE/atom_vec_molecular.cpp +++ b/src/MOLECULE/atom_vec_molecular.cpp @@ -584,6 +584,7 @@ int AtomVecMolecular::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = molecule[i]; @@ -743,6 +744,7 @@ int AtomVecMolecular::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/PERI/atom_vec_peri.cpp b/src/PERI/atom_vec_peri.cpp index 2be54b4ad9..5c898c4455 100644 --- a/src/PERI/atom_vec_peri.cpp +++ b/src/PERI/atom_vec_peri.cpp @@ -566,6 +566,7 @@ int AtomVecPeri::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = vfrac[i]; @@ -654,6 +655,7 @@ int AtomVecPeri::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/USER-AWPMD/atom_vec_wavepacket.cpp b/src/USER-AWPMD/atom_vec_wavepacket.cpp index db3dc2e54f..a57470a6c9 100644 --- a/src/USER-AWPMD/atom_vec_wavepacket.cpp +++ b/src/USER-AWPMD/atom_vec_wavepacket.cpp @@ -690,6 +690,7 @@ int AtomVecWavepacket::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = q[i]; @@ -781,6 +782,7 @@ int AtomVecWavepacket::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/USER-EFF/atom_vec_electron.cpp b/src/USER-EFF/atom_vec_electron.cpp index eb6f8eadda..e7be71ed01 100644 --- a/src/USER-EFF/atom_vec_electron.cpp +++ b/src/USER-EFF/atom_vec_electron.cpp @@ -577,6 +577,7 @@ int AtomVecElectron::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = q[i]; buf[m++] = spin[i]; @@ -658,6 +659,7 @@ int AtomVecElectron::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/USER-SPH/atom_vec_meso.cpp b/src/USER-SPH/atom_vec_meso.cpp index 3b7fdd7330..3c8c486460 100644 --- a/src/USER-SPH/atom_vec_meso.cpp +++ b/src/USER-SPH/atom_vec_meso.cpp @@ -596,6 +596,7 @@ int AtomVecMeso::pack_exchange(int i, double *buf) { buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = rho[i]; buf[m++] = e[i]; @@ -680,6 +681,7 @@ int AtomVecMeso::pack_restart(int i, double *buf) { buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/atom_vec_atomic.cpp b/src/atom_vec_atomic.cpp index 8c70f3bb53..cd5722caf0 100644 --- a/src/atom_vec_atomic.cpp +++ b/src/atom_vec_atomic.cpp @@ -437,6 +437,7 @@ int AtomVecAtomic::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; if (atom->nextra_grow) @@ -510,6 +511,7 @@ int AtomVecAtomic::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp index d435893ead..e92eda1e6e 100644 --- a/src/atom_vec_body.cpp +++ b/src/atom_vec_body.cpp @@ -956,6 +956,7 @@ int AtomVecBody::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = rmass[i]; @@ -1099,6 +1100,7 @@ int AtomVecBody::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/atom_vec_charge.cpp b/src/atom_vec_charge.cpp index 59a05b9687..78f21761b5 100644 --- a/src/atom_vec_charge.cpp +++ b/src/atom_vec_charge.cpp @@ -478,6 +478,7 @@ int AtomVecCharge::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = q[i]; @@ -555,6 +556,7 @@ int AtomVecCharge::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp index 37d6b306d6..8c98104b12 100755 --- a/src/atom_vec_ellipsoid.cpp +++ b/src/atom_vec_ellipsoid.cpp @@ -874,6 +874,7 @@ int AtomVecEllipsoid::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = rmass[i]; @@ -992,6 +993,7 @@ int AtomVecEllipsoid::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp index cb857b9966..d098fa3252 100644 --- a/src/atom_vec_line.cpp +++ b/src/atom_vec_line.cpp @@ -753,6 +753,7 @@ int AtomVecLine::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = molecule[i]; @@ -859,6 +860,7 @@ int AtomVecLine::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/atom_vec_sphere.cpp b/src/atom_vec_sphere.cpp index 32aeb5139e..3dcd527f20 100644 --- a/src/atom_vec_sphere.cpp +++ b/src/atom_vec_sphere.cpp @@ -760,6 +760,7 @@ int AtomVecSphere::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = radius[i]; @@ -845,6 +846,7 @@ int AtomVecSphere::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1]; diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp index 50de1c28cd..53e6c258aa 100644 --- a/src/atom_vec_tri.cpp +++ b/src/atom_vec_tri.cpp @@ -1028,6 +1028,7 @@ int AtomVecTri::pack_exchange(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = molecule[i]; @@ -1172,6 +1173,7 @@ int AtomVecTri::pack_restart(int i, double *buf) buf[m++] = tag[i]; buf[m++] = type[i]; buf[m++] = mask[i]; + buf[m] = 0.0; // for valgrind *((tagint *) &buf[m++]) = image[i]; buf[m++] = v[i][0]; buf[m++] = v[i][1];