ble for constructing neighborlist,
Neighborlist_Recreate() exiting...
so we use BOUNDING BOX as H[][] instead:
Warning: rcut[%d][%d] != rcut[%d][%d]
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R Szh c Barrack eate: min_shrinkage must be (0,1].
Neighborlist_Recreate: max_atom_displacement must be >= 0.
Neighborlist.c: line 172:
Neighborlist_Recreate_Form:REALLOC: error occurred when allocating %d bytes
for pointer "N->rlist" of type "double".
-> COMPRESSED disposable atom-atom list
with Rlist_ij = Rcut_ij;
-> UNCOMPRESSED reusable atom-atom list
with %g x Rlist_ij = Rcut_ij + 2 x %g;
Rcut = %M (reduced)
Neighborlist.c: line 192:
Neighborlist_Recreate_Form:REALLOC: error occurred when allocating %d bytes
for pointer "N->rlist2" of type "double".
rlist = %M (reduced)
MAX(rlist) = %g -> bin thicknesses should >= %g
since H thicknesses = %M Neighborlist_Recreate: losing r %d x %d x %d = %d bins.
bin-bin list created.
bin-bin On average, there are %.2f atoms per bin,
but we will offer space of %d for each.
Neighborlist.c: line 300:
Neighborlist_Recreate:REALLOC: error occurred when allocating %d bytes
for pointer "N->mybin" of type "int".
bin-atom list created.
bin-atom After pairwise/own_pair saving,
likely MAX(neighbor) = %M atoms, Neighborlist.c: line 321:
Neighborlist_Recreate:REALLOC: error occurred when allocating %d bytes
for pointer "N->idx" of type "int".
Neighborlist_Recreate: checksum failed.
atom-atom list created.
atom-atom All bin-related allocations freed.
Neighborlist.c: line 370:
Neighborlist_Recreate:REALLOC: error occurred when allocating %d bytes
for pointer "N->sa" of type "double".
Particle anchors established.
Neighborlist.c: line 373:
Neighborlist_Recreate:REALLOC: error occurred when allocating %d bytes
for pointer "N->maxtether2" of type "double".
Neighborlist.c: line 376:
Neighborlist_Recreate:REALLOC: error occurred when allocating %d bytes
for pointer "N->stack" of type "int".
Neighborlist.c: line 380:
Neighborlist_Recreate:REALLOC: error occurred when allocating %d bytes
for pointer "N->dx" of type "double".
dx tracking initiated, counters cleared.
H0 = %M (reduced) H = %M (reduced) Neighborlist_Maintenance: You lied! min_shrinkage
was declared to be one in Neighborlist_Recreate() but
now H has changed.
min_shrinkage reached, re-meshing...
warn_and_correct_if_stuck_on_the_wall:
atom(s) get stuck on s[%d]=0 wall.
warn_and_correct_if_stuck_on_the_wall:
atom(s) get stuck on s[%d]=1 wall.
Neighborlist_Check: we failed atom %d
Neighborlist_create_nonpairwise_image: Neighborlist is already non-pairwise.
Neighborlist.c: line 693:
Neighborlist_create_nonpairwise_image:MALLOC: error occurred when allocating %d bytes
for pointer "M->idx" of type "int".
Neighborlist_create_nonpairwise_image: checksum failed.
Neighborlist.c: line 764:
Neighborlist_max_neighbors:CALLOC: error occurred when allocating %d bytes
for pointer "coordination" of type "short".
We are at the %s strain session.
%d maintenances: total re_anchor count=%d,
or %g per maintenance, %g per atom per maintenance.
re_anchor: stack_max = %d exceeded.
Gr.c: line 24:
Gr_Recreate_Form:REALLOC: error occurred when allocating %d bytes
for pointer "GR->rcut" of type "double".
Gr.c: line 25:
Gr_Recreate_Form:REALLOC: error occurred when allocating %d bytes
for pointer "GR->mesh" of type "int".
Gr.c: line 26:
Gr_Recreate_Form:REALLOC: error occurred when allocating %d bytes
for pointer "GR->accuracy" of type "double".
gr.m Gr.c: line 50:
Gr_Reset:REALLOC: error occurred when allocating %d bytes
for pointer "GR->rcut2" of type "double".
Gr.c: line 64:
Gr_Reset:REALLOC: error occurred when allocating %d bytes
for pointer "GR->workspace" of type "double".
Gr.c: line 66:
Gr_Reset:REALLOC: error occurred when allocating %d bytes
for pointer "GR->count" of type "double *".
Gr.c: line 67:
Gr_Reset:REALLOC: error occurred when allocating %d bytes
for pointer "GR->normalization" of type "double".
Prepare to compute g(r)'s with the following parameters:
GRcut = %M (reduced), mesh = %M, accuracy = %M. -> need to accumulate %d INDEPENDENT instances.
Matlab output = "%s", autosaves = %d,
-> automatically save at every %d instances.
Gr_Accumulate: losing rmybin" of type "int".
Gr.c: line 201:
Gr_Accumulate:REALLOC: error occurred when allocating %d bytes
for pointer "GR->s" of type "double".
Computing g(r)'s after %d accumulations:
Gr.c: line 273:
Gr_Save:MALLOC: error occurred when allocating %d bytes
for pointer "accuracy" of type "double".
input('press a key... ');
%s = [
%g %g %g
];
clf;plot(%s(:,2),%s(:,3));
v = axis; axis([0 %g v(3) v(4)]);
xlabel('r [A]'); ylabel('g_{}(r)');
title('%s-%s Radial Distribution Function');
current accuracy = %M. g(r)'s saved on Matlab script "%s".
%d mobile atoms,
average velocity = %M, total kinetic energy = %.16g = %.16g [eV]
avg. atomic kinetic energy = %.16g = %.16g [eV]
= %.16g [kJ/mol]
MD temperature = %.16g = %.16g [K].
VoronoiSpec_rebuild:
please, at least use a single-component lattice.
Voronoi.c: line 36:
VoronoiSpec_rebuild:REALLOC: error occurred when allocating %d bytes
for pointer "V->v" of type "VoronoiSite".
Voronoi.c: line 68:
Config_Voronoi_CUT:MALLOC: error occurred when allocating %d bytes
for pointer "sm" of type "double".
Voronoi.c: line 88:
Config_Voronoi_CUT:CALLOC: error occurred when allocating %d bytes
for pointer "taglist" of type "char".
Voronoi.c: line 112:
Config_Voronoi_cut:MALLOC: error occurred when allocating %d bytes
for pointer "sm" of type "double".
Voronoi.c: line 125:
Config_Voronoi_cut:CALLOC: error occurred when allocating %d bytes
for pointer "taglist" of type "char".
Voronoi.c: line 153:
Config_Voronoirize:MALLOC: error occurred when allocating %d bytes
for pointer "ss" of type "double".
Cut against all images = %s;
Grain %d (0-%d) centered at (%g %g %g) added,
R = %M.
There are total of %d grains, %d atoms (%g%%).
Voronoi.c: line 186:
Config_Voronoirize:CALLOC: error occurred when allocating %d bytes
for pointer "taglist" of type "char".
Then, %d (%g%%) GB atoms are removed randomly
for bond ratio < %g -> now np = %d (%g%%).
Number of atoms Atomic numbers Current cartesian coordinates Loading "%s" ...
%s %d Config_load_from_Gaussian_FChk: np=%d <= 0.
freadline_matchheader: file has line
"%s..."
which is longer than linesize = %d characters;
file may be corrupted.
PATH command_exists: can't get $PATH from environment.
command_exists: can't allocate memory. : . command_exists:
%s/%s:
%s gv ghostview xpsview imagetool pageview xv imgview netscape , TRY_to_runfg: "%s" not found in your run PATH.
& TRY_to_runbg: "%s" not found in your run PATH.
.bz2 .gz .bz2.blitz bzip2 -7 Zrealize: sorry, file "%s" remains uncompressed.
.gz.blitz gzip -7 strs: run out of cartridges (%d)
error: error: Asprintf: "%s" contains single %%
error: Asprintf: "%s" descriptor in "%s" unsupported
vzfprintf: VZFPRINTF_SIZE = %d exceeded.
0. press return to %s ... %dth "%s" exists but is not a directory.
Cannot create directory "%s".
Fopen: cannot open file "%s"
for "%s" operations.
HOME %s/%s PWD absolute_pathname: pathname too long.
try_to_runfg: "%s" not found in your run PATH.
try_to_runbg: "%s" not found in your run PATH.
r bzip2 -cd > RBZIP2_fname: file "%s" is thought to be a .bz2 file but
we encounter error when executing "%s".
gzip -cd RGZIP_fname: file "%s" is thought to be a .gz file but
we encounter error when running "%s".
compress -cd RUNIXZ_fname: file "%s" is thought to be a .z file but
we encounter error when running "%s".
rw File "%s" exists, overwrite (y/n)? Sorry, you do not have write permission. error: c2s: convert '%c' to string
uses cell number = %d > C2S_MAX_CELLS = %d.
error: spinoff: cannot fork IOmem: IOMEM_MAX_CLIENTS = %d reached, no open slots
IOalloc: attempt to malloc %d chars, or %ld bytes, failed IOALLOC: attempt to calloc %d chars, or %ld bytes, failed error: Ialloc: attempt to malloc %d ints, or %ld bytes, failed error: IALLOC: attempt to calloc %d ints, or %ld bytes, failed error: IAlloc: attempt to malloc %d ints
(set to %d), or %ld bytes, failed M3norm: norm exponent = %lf <= 0 is illegal
M3divide: divisor = %e
M3Divide: divisor = %e
error: M3diag: matrix is not symmetric error: M3diag: program error 1
%3M|| %15.8le %15.8le %15.8le |
error: M3diag: program error 2 %3M|| %15.8le %15.8le %15.8le |
error: M3Diag: matrix is not symmetric V U error: M3Diag: matrix failed to converge. error: M3inv: determinant = %e
matrix is singular
M3RightPolarDECOMPOSE: A is singular.
M3LeftPolarDECOMPOSE: A is singular.
error: Mvprintf: unrecognized escape sequence type number %d
error: Sprint: matrix cols = %d > SPRINT_MAX_ELM = %d
error: Sprint: matrix cols = %d makes SPRINT_MAX_FMT
= %d overflow possible
%M error: Sprint: no %%M escape sequence in
"%s"
%.6f %%%dM%c%c %%%d.%dlf error: Iprint: matrix cols = %d > IPRINT_MAX_ELM = %d
error: Iprint: matrix cols = %d makes IPRINT_MAX_FMT
= %d overflow possible
error: Iprint: no %%M escape sequence in
"%s"
%%%dd print.c: line 534:
Sprintmul:MALLOC: error occurred when allocating %d bytes
for pointer "B" of type "double".
error: parse_printf_escape: "%s" contains single %%
error: parse_printf_escape: unclosed matrix formatter
"%s".
Sequentially_Index: a=%d >= b=%d.
ordering.c: line 585:
Iall_different:MALLOC: error occurred when allocating %d bytes
for pointer "idx" of type "int".
error: Vdiv: divisor = %e
error: VDIV: divisor = %e
error: Vadddiv: divisor = %e
error: VADDdiv: divisor = %e
error: Vsubdiv: divisor = %e
error: VSUBdiv: divisor = %e
error: Vmem: VMEM_MAX_CLIENTS = %d reached, no open slots
error: Valloc: attempt to malloc %d doubles, or %ld bytes, failed error: VALLOC: attempt to calloc %d doubles, or %ld bytes, failed error: VAlloc: attempt to malloc %d doubles
(set to %e), or %ld bytes, failed error: Vrealloc: attempt to realloc %d
doubles, or %ld bytes, failed w+ reset_scratch: cannot open temporary file
reset_scratch: cannot unlink temporary file
error: pure_deform: Lagrangian strain infeasible
eta = %M
error: M3rowthickness: i = %d illegal
error: M3rows_to_cover_sphere: thickness[%d] = 0.
Lagrangian_strain: H0 is singular.
simple_D: H0 is singular.
simple_strain: H0 is singular.
Compressed Uncompressed %s %s list: %d entries, %ld bytes allocated,
max=%d, min=%d, avg=%.2f, std.dev.=%.2f (%.1f%%).
max=%d, min=%d, avg=%.2f (%.1f%%), std.dev.=%.2f (%.1f%%).
Imakespace: min=%d max=%d jammed between i=%d and i+1.
IMAKESPACE: min=%d max=%d jammed between i=%d and i+1.
neighborlist.c: line 33:
Icreatelist:MALLOC: error occurred when allocating %d bytes
for pointer "*idx" of type "int".
neighborlist.c: line 52:
Irecreatelist:REALLOC: error occurred when allocating %d bytes
for pointer "*idx" of type "int".
neighborlist.c: line 79:
Icompresslist:REALLOC: error occurred when allocating %d bytes
for pointer "*idx" of type "int".
neighborlist.c: line 89:
Idecompresslist:MALLOC: error occurred when allocating %d bytes
for pointer "new_idx" of type "int".
Iappend: detects overflow at i=%d and i+1,
min=%d, max=%d, conflict_count=%d
IAPPEND: detects overflow at i=%d and i+1,
min=%d, max=%d, conflict_count=%d
V3axialrotate: axis=0
V3axialrotatematrix: axis=0
V3SphericalAngle: z is zero vector.
V3SphericalAngle: x is zero vector.
V3SphericalAngle: x and z are collinear.
V3div: divisor = %e
V3DIV: divisor = %e
V3norm: norm exponent = %lf <= 0 is illegal
warning: V3normalize: length = 0,
will not normalize input vector
warning: V3NORMALIZE: length = 0,will not normalize input