diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp index 8ef78f9006..8d2dc979f5 100644 --- a/src/DIPOLE/atom_vec_dipole.cpp +++ b/src/DIPOLE/atom_vec_dipole.cpp @@ -595,7 +595,6 @@ 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]; @@ -681,7 +680,6 @@ 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 ff89b769d1..e7af84e6d3 100644 --- a/src/MOLECULE/atom_vec_angle.cpp +++ b/src/MOLECULE/atom_vec_angle.cpp @@ -547,7 +547,6 @@ 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]; @@ -670,7 +669,6 @@ 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 6f4ff6048e..377c552ee5 100644 --- a/src/MOLECULE/atom_vec_bond.cpp +++ b/src/MOLECULE/atom_vec_bond.cpp @@ -526,7 +526,6 @@ 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]; @@ -633,7 +632,6 @@ 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 268d9cc9e7..8f4022bd36 100644 --- a/src/MOLECULE/atom_vec_full.cpp +++ b/src/MOLECULE/atom_vec_full.cpp @@ -616,7 +616,6 @@ 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]; @@ -778,7 +777,6 @@ 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 9ee77a0f25..57e275f04c 100644 --- a/src/MOLECULE/atom_vec_molecular.cpp +++ b/src/MOLECULE/atom_vec_molecular.cpp @@ -604,7 +604,6 @@ 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]; @@ -764,7 +763,6 @@ 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 9d8c6a74d4..6f3a9d6279 100644 --- a/src/PERI/atom_vec_peri.cpp +++ b/src/PERI/atom_vec_peri.cpp @@ -600,7 +600,6 @@ 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]; @@ -689,7 +688,6 @@ 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 87f5226479..e2354b5bb7 100644 --- a/src/USER-AWPMD/atom_vec_wavepacket.cpp +++ b/src/USER-AWPMD/atom_vec_wavepacket.cpp @@ -707,7 +707,6 @@ 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]; @@ -799,7 +798,6 @@ 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 e861414efb..f78263b3f4 100644 --- a/src/USER-EFF/atom_vec_electron.cpp +++ b/src/USER-EFF/atom_vec_electron.cpp @@ -611,7 +611,6 @@ 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]; @@ -693,7 +692,6 @@ 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 2a9fabbd97..9ddb59b2ab 100644 --- a/src/USER-SPH/atom_vec_meso.cpp +++ b/src/USER-SPH/atom_vec_meso.cpp @@ -616,7 +616,6 @@ 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]; @@ -701,7 +700,6 @@ 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.h b/src/atom_vec.h index 934bc59ff5..468eda76fb 100644 --- a/src/atom_vec.h +++ b/src/atom_vec.h @@ -114,6 +114,14 @@ class AtomVec : protected Pointers { int deform_vremap; // local copy of domain properties int deform_groupbit; double *h_rate; + + union ubuf { + double d; + int64_t i; + ubuf(double arg) : d(arg) {} + ubuf(int64_t arg) : i(arg) {} + ubuf(int arg) : i(arg) {} + }; }; } diff --git a/src/atom_vec_atomic.cpp b/src/atom_vec_atomic.cpp index 361587af95..c4399baaf8 100644 --- a/src/atom_vec_atomic.cpp +++ b/src/atom_vec_atomic.cpp @@ -457,7 +457,6 @@ 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) @@ -531,7 +530,6 @@ 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 8a51539164..db4e5b1dab 100644 --- a/src/atom_vec_body.cpp +++ b/src/atom_vec_body.cpp @@ -976,7 +976,6 @@ 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]; @@ -1120,7 +1119,6 @@ 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 61d6208317..8a74af12c3 100644 --- a/src/atom_vec_charge.cpp +++ b/src/atom_vec_charge.cpp @@ -498,7 +498,6 @@ 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]; @@ -576,7 +575,6 @@ 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 c4352270bc..9a90f5ddad 100755 --- a/src/atom_vec_ellipsoid.cpp +++ b/src/atom_vec_ellipsoid.cpp @@ -895,7 +895,6 @@ 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]; @@ -1014,7 +1013,6 @@ 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 88651dec4d..de95a29fbd 100644 --- a/src/atom_vec_line.cpp +++ b/src/atom_vec_line.cpp @@ -773,7 +773,6 @@ 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]; @@ -880,7 +879,6 @@ 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 2c5e02a2e5..ea09b8e4b2 100644 --- a/src/atom_vec_sphere.cpp +++ b/src/atom_vec_sphere.cpp @@ -534,7 +534,7 @@ int AtomVecSphere::unpack_reverse_hybrid(int n, int *list, double *buf) /* ---------------------------------------------------------------------- */ int AtomVecSphere::pack_border(int n, int *list, double *buf, - int pbc_flag, int *pbc) + int pbc_flag, int *pbc) { int i,j,m; double dx,dy,dz; @@ -546,9 +546,9 @@ int AtomVecSphere::pack_border(int n, int *list, double *buf, buf[m++] = x[j][0]; buf[m++] = x[j][1]; buf[m++] = x[j][2]; - buf[m++] = tag[j]; - buf[m++] = type[j]; - buf[m++] = mask[j]; + buf[m++] = ubuf(tag[j]).d; + buf[m++] = ubuf(type[j]).d; + buf[m++] = ubuf(mask[j]).d; buf[m++] = radius[j]; buf[m++] = rmass[j]; } @@ -567,9 +567,9 @@ int AtomVecSphere::pack_border(int n, int *list, double *buf, buf[m++] = x[j][0] + dx; buf[m++] = x[j][1] + dy; buf[m++] = x[j][2] + dz; - buf[m++] = tag[j]; - buf[m++] = type[j]; - buf[m++] = mask[j]; + buf[m++] = ubuf(tag[j]).d; + buf[m++] = ubuf(type[j]).d; + buf[m++] = ubuf(mask[j]).d; buf[m++] = radius[j]; buf[m++] = rmass[j]; } @@ -585,7 +585,7 @@ int AtomVecSphere::pack_border(int n, int *list, double *buf, /* ---------------------------------------------------------------------- */ int AtomVecSphere::pack_border_vel(int n, int *list, double *buf, - int pbc_flag, int *pbc) + int pbc_flag, int *pbc) { int i,j,m; double dx,dy,dz,dvx,dvy,dvz; @@ -597,9 +597,9 @@ int AtomVecSphere::pack_border_vel(int n, int *list, double *buf, buf[m++] = x[j][0]; buf[m++] = x[j][1]; buf[m++] = x[j][2]; - buf[m++] = tag[j]; - buf[m++] = type[j]; - buf[m++] = mask[j]; + buf[m++] = ubuf(tag[j]).d; + buf[m++] = ubuf(type[j]).d; + buf[m++] = ubuf(mask[j]).d; buf[m++] = radius[j]; buf[m++] = rmass[j]; buf[m++] = v[j][0]; @@ -625,9 +625,9 @@ int AtomVecSphere::pack_border_vel(int n, int *list, double *buf, buf[m++] = x[j][0] + dx; buf[m++] = x[j][1] + dy; buf[m++] = x[j][2] + dz; - buf[m++] = tag[j]; - buf[m++] = type[j]; - buf[m++] = mask[j]; + buf[m++] = ubuf(tag[j]).d; + buf[m++] = ubuf(type[j]).d; + buf[m++] = ubuf(mask[j]).d; buf[m++] = radius[j]; buf[m++] = rmass[j]; buf[m++] = v[j][0]; @@ -646,9 +646,9 @@ int AtomVecSphere::pack_border_vel(int n, int *list, double *buf, buf[m++] = x[j][0] + dx; buf[m++] = x[j][1] + dy; buf[m++] = x[j][2] + dz; - buf[m++] = tag[j]; - buf[m++] = type[j]; - buf[m++] = mask[j]; + buf[m++] = ubuf(tag[j]).d; + buf[m++] = ubuf(type[j]).d; + buf[m++] = ubuf(mask[j]).d; buf[m++] = radius[j]; buf[m++] = rmass[j]; if (mask[i] & deform_groupbit) { @@ -702,9 +702,9 @@ void AtomVecSphere::unpack_border(int n, int first, double *buf) x[i][0] = buf[m++]; x[i][1] = buf[m++]; x[i][2] = buf[m++]; - tag[i] = static_cast (buf[m++]); - type[i] = static_cast (buf[m++]); - mask[i] = static_cast (buf[m++]); + tag[i] = (int) ubuf(buf[m++]).i; + type[i] = (int) ubuf(buf[m++]).i; + mask[i] = (int) ubuf(buf[m++]).i; radius[i] = buf[m++]; rmass[i] = buf[m++]; } @@ -729,9 +729,9 @@ void AtomVecSphere::unpack_border_vel(int n, int first, double *buf) x[i][0] = buf[m++]; x[i][1] = buf[m++]; x[i][2] = buf[m++]; - tag[i] = static_cast (buf[m++]); - type[i] = static_cast (buf[m++]); - mask[i] = static_cast (buf[m++]); + tag[i] = (int) ubuf(buf[m++]).i; + type[i] = (int) ubuf(buf[m++]).i; + mask[i] = (int) ubuf(buf[m++]).i; radius[i] = buf[m++]; rmass[i] = buf[m++]; v[i][0] = buf[m++]; @@ -777,11 +777,10 @@ int AtomVecSphere::pack_exchange(int i, double *buf) buf[m++] = v[i][0]; buf[m++] = v[i][1]; buf[m++] = v[i][2]; - 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++] = ubuf(tag[i]).d; + buf[m++] = ubuf(type[i]).d; + buf[m++] = ubuf(mask[i]).d; + buf[m++] = ubuf(image[i]).d; buf[m++] = radius[i]; buf[m++] = rmass[i]; @@ -811,10 +810,10 @@ int AtomVecSphere::unpack_exchange(double *buf) v[nlocal][0] = buf[m++]; v[nlocal][1] = buf[m++]; v[nlocal][2] = buf[m++]; - tag[nlocal] = static_cast (buf[m++]); - type[nlocal] = static_cast (buf[m++]); - mask[nlocal] = static_cast (buf[m++]); - image[nlocal] = *((tagint *) &buf[m++]); + tag[nlocal] = (int) ubuf(buf[m++]).i; + type[nlocal] = (int) ubuf(buf[m++]).i; + mask[nlocal] = (int) ubuf(buf[m++]).i; + image[nlocal] = (tagint) ubuf(buf[m++]).i; radius[nlocal] = buf[m++]; rmass[nlocal] = buf[m++]; @@ -863,11 +862,10 @@ int AtomVecSphere::pack_restart(int i, double *buf) buf[m++] = x[i][0]; buf[m++] = x[i][1]; buf[m++] = x[i][2]; - 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++] = ubuf(tag[i]).d; + buf[m++] = ubuf(type[i]).d; + buf[m++] = ubuf(mask[i]).d; + buf[m++] = ubuf(image[i]).d; buf[m++] = v[i][0]; buf[m++] = v[i][1]; buf[m++] = v[i][2]; @@ -903,10 +901,10 @@ int AtomVecSphere::unpack_restart(double *buf) x[nlocal][0] = buf[m++]; x[nlocal][1] = buf[m++]; x[nlocal][2] = buf[m++]; - tag[nlocal] = static_cast (buf[m++]); - type[nlocal] = static_cast (buf[m++]); - mask[nlocal] = static_cast (buf[m++]); - image[nlocal] = *((tagint *) &buf[m++]); + tag[nlocal] = (int) ubuf(buf[m++]).i; + type[nlocal] = (int) ubuf(buf[m++]).i; + mask[nlocal] = (int) ubuf(buf[m++]).i; + image[nlocal] = (tagint) ubuf(buf[m++]).i; v[nlocal][0] = buf[m++]; v[nlocal][1] = buf[m++]; v[nlocal][2] = buf[m++]; @@ -1063,8 +1061,8 @@ void AtomVecSphere::pack_data(double **buf) { int nlocal = atom->nlocal; for (int i = 0; i < nlocal; i++) { - buf[i][0] = tag[i]; - buf[i][1] = type[i]; + buf[i][0] = ubuf(tag[i]).d; + buf[i][1] = ubuf(type[i]).d; buf[i][2] = 2.0*radius[i]; if (radius[i] == 0.0) buf[i][3] = rmass[i]; else @@ -1072,9 +1070,9 @@ void AtomVecSphere::pack_data(double **buf) buf[i][4] = x[i][0]; buf[i][5] = x[i][1]; buf[i][6] = x[i][2]; - buf[i][7] = (image[i] & IMGMASK) - IMGMAX; - buf[i][8] = (image[i] >> IMGBITS & IMGMASK) - IMGMAX; - buf[i][9] = (image[i] >> IMG2BITS) - IMGMAX; + buf[i][7] = ubuf((image[i] & IMGMASK) - IMGMAX).d; + buf[i][8] = ubuf((image[i] >> IMGBITS & IMGMASK) - IMGMAX).d; + buf[i][9] = ubuf((image[i] >> IMG2BITS) - IMGMAX).d; } } @@ -1098,10 +1096,11 @@ void AtomVecSphere::write_data(FILE *fp, int n, double **buf) { for (int i = 0; i < n; i++) fprintf(fp,"%d %d %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e %d %d %d\n", - (int) buf[i][0],(int) buf[i][1], + (int) ubuf(buf[i][0]).i,(int) ubuf(buf[i][1]).i, buf[i][2],buf[i][3], buf[i][4],buf[i][5],buf[i][6], - (int) buf[i][7],(int) buf[i][8],(int) buf[i][9]); + (int) ubuf(buf[i][7]).i,(int) ubuf(buf[i][8]).i, + (int) ubuf(buf[i][9]).i); } /* ---------------------------------------------------------------------- @@ -1122,7 +1121,7 @@ void AtomVecSphere::pack_vel(double **buf) { int nlocal = atom->nlocal; for (int i = 0; i < nlocal; i++) { - buf[i][0] = tag[i]; + buf[i][0] = ubuf(tag[i]).d; buf[i][1] = v[i][0]; buf[i][2] = v[i][1]; buf[i][3] = v[i][2]; @@ -1152,7 +1151,7 @@ void AtomVecSphere::write_vel(FILE *fp, int n, double **buf) { for (int i = 0; i < n; i++) fprintf(fp,"%d %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e\n", - (int) buf[i][0],buf[i][1],buf[i][2],buf[i][3], + (int) ubuf(buf[i][0]).i,buf[i][1],buf[i][2],buf[i][3], buf[i][4],buf[i][5],buf[i][6]); } diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp index b8202e82ee..85a86aca84 100644 --- a/src/atom_vec_tri.cpp +++ b/src/atom_vec_tri.cpp @@ -1048,7 +1048,6 @@ 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]; @@ -1193,7 +1192,6 @@ 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];