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Couple of new quotes
2015-06-26
Erik Lindahl
F
i
x
b
uffer siz
e
issues in st
r
i
n
g dat
a
base
commit
|
commitdiff
|
tree
2015-06-25
Erik L
i
ndahl
F
i
x
edr appending and exact continuation
commit
|
commitdiff
|
tree
2015-06-25
Erik
L
ind
a
hl
Fix binary e
x
ac
t
co
n
tinuation for tr
a
jectories
commit
|
commitdiff
|
tree
2015-06-24
Erik Lindahl
Avoid
a
ccessing
h
a
ckbl
o
c
ks f
o
r x2top
commit
|
commitdiff
|
tree
2015-06-23
Erik Lindahl
Upd
a
ted phys
i
cal co
n
stants fro
m
NIST
2010
C
ODATA
commit
|
commitdiff
|
tree
2015-06-23
Erik Lindahl
Removed buggy
-s
m
ooth
hack
in hbon
d
m
odule
commit
|
commitdiff
|
tree
2015-06-22
E
r
i
k Lind
a
hl
Fix compiler wa
r
nings in cmake tests
commit
|
commitdiff
|
tree
2015-06-22
Erik Lind
a
hl
Use MPI_THREAD_FUNNELED when available
commit
|
commitdiff
|
tree
2015-06-22
Eri
k
Lin
d
a
h
l
Fix segfau
l
t in random access XTC searching
commit
|
commitdiff
|
tree
2015-06-22
Erik Li
n
dahl
Fi
x
argument order err
o
r for g_rmsdist
commit
|
commitdiff
|
tree
2015-06-22
Eri
k
Lindahl
Fix gro errors with
PDB
insertion codes
commit
|
commitdiff
|
tree
2015-06-20
E
r
ik Lindahl
Upd
a
ted docs for g
_
g
y
r
a
te
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Fix potential
b
uffe
r
overflow in pdb2gmx
commit
|
commitdiff
|
tree
2015-06-20
Eri
k
Lindahl
D
is
a
llow i
n
finite epsilon with PME or GB
.
commit
|
commitdiff
|
tree
2015-06-20
Erik
L
inda
h
l
Remove GM
X
_
MA
X
_MPI_TH
R
EAD
S
commit
|
commitdiff
|
tree
2015-06-20
E
r
ik L
i
n
d
ahl
Fix
rep
r
oducibility bug in fft5d
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Handle mul
t
idir/multisim with sin
g
le
a
r
gume
n
t correctl
y
commit
|
commitdiff
|
tree
2015-06-19
Erik
L
inda
h
l
Fix inco
r
rect shif
t
w
i
th g_density
-c
e
nt
e
r
commit
|
commitdiff
|
tree
2015-06-16
Erik Li
n
d
ahl
Fix CUDA versio
n
info in NV
M
L applic
a
tion clock warning
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
Add membrane
embedding docs
commit
|
commitdiff
|
tree
2015-06-16
Er
i
k
Lindahl
Updated FFT
W
recommendati
o
ns in
install
-
guide
.
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
F
ix segfaul
t
with timer reset and
-nb cpu
commit
|
commitdiff
|
tree
2015-06-16
Erik
L
indah
l
Avoid warning about affi
n
ity on Blue Gene,
r
educe warnings
commit
|
commitdiff
|
tree
2015-06-15
E
rik Lindahl
Fix
O
S
X
FFTW build failures introduced 86a772
commit
|
commitdiff
|
tree
2015-06-15
Erik Linda
h
l
Fi
x
ed SIMD
d
etec
t
ion an
d
f
lags com
m
on for
IBM archs
commit
|
commitdiff
|
tree
2015-06-07
Erik Lind
a
hl
F
ix out-
o
f
-
range integer lit
e
ral
s
for
t
hreefry
commit
|
commitdiff
|
tree
2015-06-04
Erik Lindahl
More
n
ew
quotes
commit
|
commitdiff
|
tree
2015-05-17
Erik Lindahl
Added hacks for SI
M
D rve
c
/
l
oad store in lincs & bondeds
commit
|
commitdiff
|
tree
2015-03-30
Erik Lindahl
Quote from Szilard
'
s tal
k
at GTC2015
commit
|
commitdiff
|
tree
2015-03-25
E
r
ik Lindahl
Quote from Jen-Hsun at
the
NVIDIA
GTC
conference 2015
commit
|
commitdiff
|
tree
2015-03-03
Eri
k
Lindahl
A
d
ded singl
e
-accuracy SIMD d
o
uble
math f
u
nctions
commit
|
commitdiff
|
tree
2015-02-24
Erik Li
n
dahl
Added AVX-512ER
S
I
MD support
commit
|
commitdiff
|
tree
2015-02-24
E
r
i
k
Lindah
l
Add A
V
X-51
2
F SIMD support
commit
|
commitdiff
|
tree
2015-02-20
Erik Lindahl
Famo
u
s qu
o
t
e
fro
m
C
oll
e
en McCullough
commit
|
commitdiff
|
tree
2015-02-20
Erik Lind
a
hl
Added
two pop-culture qu
o
te
s
from Andy Warhol
.
commit
|
commitdiff
|
tree
2015-01-19
Erik
Lindahl
Added two q
u
o
t
es f
r
om J
u
l
i
e
B
ernauer
h
abilitat
i
on
commit
|
commitdiff
|
tree
2014-09-30
Erik
Lindahl
Ad
d
Power8 VSX
S
IMD s
u
pport
commit
|
commitdiff
|
tree
2014-09-30
Er
i
k
L
ind
a
hl
Avoi
d
u
sing function calls
i
n O
p
enMP direct
i
ves
commit
|
commitdiff
|
tree
2014-09-22
Eri
k
Lindahl
More
q
uotes
commit
|
commitdiff
|
tree
2014-09-20
Erik Lindahl
Fix RelWithDebInfo name
b
ug
s
,
a
n
d
use full optimiz
a
tio
n
.
commit
|
commitdiff
|
tree
2014-09-20
Erik Lindahl
Added
a
bunch of
n
ew and
old q
u
ot
e
s
.
commit
|
commitdiff
|
tree
2014-09-18
Er
i
k
Linda
h
l
Add
P
ower/PowerPC VMX SI
M
D support
commit
|
commitdiff
|
tree
2014-09-11
Erik
L
i
n
d
ahl
Enable stati
c
anon namespace workaround on paths
c
ale
commit
|
commitdiff
|
tree
2014-09-10
Erik Lindahl
Improve performance of MI
C
e
x
ponential
commit
|
commitdiff
|
tree
2014-09-08
Eri
k
Lindahl
Add
64-bit AArch64 asimd
S
IMD support
commit
|
commitdiff
|
tree
2014-09-08
Erik Li
n
dahl
Add 32-
b
it
A
R
M
N
e
on SIMD support
commit
|
commitdiff
|
tree
2014-09-04
E
r
ik Lindahl
K-
c
omp
u
ter
specific modi
f
ications
commit
|
commitdiff
|
tree
2014-09-03
E
r
ik Lin
d
ahl
Fixed sc_power
=
=48 crash
i
n
s
i
n
gle precision
commit
|
commitdiff
|
tree
2014-09-03
Eri
k
L
i
ndahl
F
i
xed preprocesso
r
erro
r
for
AVX_128_FMA simd
commit
|
commitdiff
|
tree
2014-09-02
Erik
Lindahl
F
i
x
form
a
tting of
fatal errors i
n
g_bar
commit
|
commitdiff
|
tree
2014-09-02
Erik Lind
a
hl
Fixed string var expan
s
ion in
CMa
k
e due t
o
CMP0053
commit
|
commitdiff
|
tree
2014-08-31
Erik Lindahl
Add
e
d negative zero
pr
e
pr
o
c
e
ssor constant
s
commit
|
commitdiff
|
tree
2014-08-20
Erik Lind
a
hl
Add _
G
N
U_SOURCE=1
t
o find clon
e
() with PGI
commit
|
commitdiff
|
tree
2014-08-20
E
r
ik Lindahl
Fix matrix po
i
nter dereferen
c
e
b
ug in
u
p
date
.
c
commit
|
commitdiff
|
tree
2014-08-20
Erik Lind
a
hl
Enable SI
M
D register c
a
ll
i
ng convention w
i
th gmx_simdcall
commit
|
commitdiff
|
tree
2014-08-20
Erik Lindah
l
A
d
d cycle
counters for 6
4
-bit ARM
commit
|
commitdiff
|
tree
2014-08-20
Erik
Lin
d
ahl
Shorten plu
g
in co
n
figuration message
commit
|
commitdiff
|
tree
2014-08-17
Erik Lindahl
Fix
P
ortland compiler warnings
commit
|
commitdiff
|
tree
2014-08-10
E
rik Lin
d
ahl
Make internal
B
LAS/LAPA
C
K messages
l
ess n
o
isy
commit
|
commitdiff
|
tree
2014-08-10
Erik L
i
ndahl
Imp
r
ove Gromacs portabil
i
t
y
commit
|
commitdiff
|
tree
2014-08-10
Eri
k
L
i
nda
h
l
Replace
_
_LP64_
_
with check for pointer size
commit
|
commitdiff
|
tree
2014-08-07
Erik Lindahl
Fix portability issue with Ar
r
a
yRef ini
t
iali
z
er
overloading
commit
|
commitdiff
|
tree
2014-08-07
Eri
k
Lindahl
Ch
a
nged names of
t
est f
i
les to
avoid Fuji
t
su compiler bug
commit
|
commitdiff
|
tree
2014-08-01
Erik Lin
d
ahl
Add
e
d
t
ests for
deno
r
mal
a
nd underflow
f
or simd exp()
commit
|
commitdiff
|
tree
2014-07-27
Erik Lindah
l
Fix sel
e
ction of x
t
c
groups not
s
tart
i
n
g
a
t index 0
commit
|
commitdiff
|
tree
2014-07-13
Erik Lindahl
Avoid clang/32 o
p
timization
affecting I
E
EE endia
n
detec
t
ion
commit
|
commitdiff
|
tree
2014-07-11
Er
i
k L
i
ndahl
Make
A
VX
2
check more robust
commit
|
commitdiff
|
tree
2014-07-08
Erik Lindahl
Make IEEE7
5
4 check more robus
t
commit
|
commitdiff
|
tree
2014-06-29
Erik Lindahl
Fixed free
e
nergy with LJ-PME
commit
|
commitdiff
|
tree
2014-06-29
Erik Lindahl
Enabl
e
rtp angle/dihedral entrie
s
not connected by
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
Erik Lindahl
F
i
xed CMAP generatio
n
f
or alanine dipeptide
sp
e
c
ial
.
.
.
commit
|
commitdiff
|
tree
2014-06-27
Erik L
i
n
d
ahl
Alw
a
ys set b
-
st
a
te
po
s
r
es, even if ident
i
cal to a-s
t
ate
commit
|
commitdiff
|
tree
2014-06-27
Erik Lin
d
a
h
l
Update g_densit
y
to
h
a
n
dle bi
l
ayers bet
t
er
commit
|
commitdiff
|
tree
2014-06-27
Er
i
k
Lindahl
F
i
x LJ
P
M
E
Lorentz-Ber
t
h
e
lo
t
c
ombination rule
s
commit
|
commitdiff
|
tree
2014-06-27
Eri
k
Linda
h
l
Improve PDB I/O (keep oc
c
upancy, b-fact
o
r, element)
commit
|
commitdiff
|
tree
2014-06-27
Eri
k
Lind
a
hl
Avoid
warnin
g
s about cou
p
ling when free_ener
g
y=n
o
commit
|
commitdiff
|
tree
2014-06-25
Erik Lin
d
a
hl
U
pdated Amber GBSA parameters
commit
|
commitdiff
|
tree
2014-06-25
Er
i
k Lindahl
Make source
c
o
m
pile unde
r
Linux X32 AB
I
commit
|
commitdiff
|
tree
2014-06-25
E
rik Lindahl
Mak
e
it har
d
e
r fo
r
compiler to o
p
timize
a
w
a
y SIMD CMake
.
.
.
commit
|
commitdiff
|
tree
2014-06-24
Erik
L
indahl
F
ixed GROM
O
S ass
i
gnm
e
nt of PRO-NH termi
n
us
to
r
s
ions
commit
|
commitdiff
|
tree
2014-06-24
Erik Lindahl
Make
s
ure duplicates b
o
ndeds are
set
from hackblocks
commit
|
commitdiff
|
tree
2014-06-24
Er
i
k Lindahl
Clean up CMAP placem
e
nt in parame
t
er list
commit
|
commitdiff
|
tree
2014-06-24
E
rik Lindahl
A
dded multisi
m
u
lat
i
on info to log
/
output
commit
|
commitdiff
|
tree
2014-06-24
E
r
i
k
L
i
ndahl
Fixed
r
ecen
t
bug with disp
.
co
r
r
.
an
d
vdwtype=shif
t
commit
|
commitdiff
|
tree
2014-06-23
Erik Lindahl
Enable terminus-specific atom
tr
a
nslation
commit
|
commitdiff
|
tree
2014-06-23
E
rik Lindah
l
Enable 4
-
l
e
t
ter resname i
n
P
D
B outpu
t
, keeps more pdb
i
nfo
.
commit
|
commitdiff
|
tree
2014-06-23
Erik Linda
h
l
Detect non-fatal warni
n
gs whe
n
trying
CFla
g
s for source
commit
|
commitdiff
|
tree
2014-06-23
Erik
L
indahl
Enab
l
e xvgr output and
l
a
bels for
g
_princip
a
l
commit
|
commitdiff
|
tree
2014-06-23
Er
i
k Linda
h
l
Disallow e
x
tracting V/F from XTC f
i
les in
g
_tr
a
j
commit
|
commitdiff
|
tree
2014-06-23
E
rik L
i
ndahl
W
a
rn
i
f using ns
t
eps=0 witho
u
t continuation=yes
commit
|
commitdiff
|
tree
2014-06-22
E
r
ik Linda
h
l
Make log
file
o
p
t
ion listi
n
g similar to mdp name
s
commit
|
commitdiff
|
tree
2014-06-21
E
r
i
k Lindahl
Make sur
e
mas
s
es
a
r
e cop
i
e
d
f
rom termini databa
s
es
commit
|
commitdiff
|
tree
2014-06-18
Er
i
k Li
n
dahl
Fixed CMake 2
.
8
.
12
+
CUDA dylib bugs and warnings
on
.
.
.
commit
|
commitdiff
|
tree
2014-06-17
Erik Lindahl
Disa
b
led replica exchang
e
when
T not
i
n order
commit
|
commitdiff
|
tree
2014-06-14
Erik Lindahl
Make sur
e
f
i
g
u
re
l
egends are adapted to
xmg
r
/xmgrace
commit
|
commitdiff
|
tree
2014-06-13
Erik
L
ind
a
hl
Force g_bond
to use
structure fi
l
e
commit
|
commitdiff
|
tree
2014-06-12
Erik Lin
d
ah
l
A
dded
d
u
m
my mass fo
r
charmm
TYR aromatic vsites
commit
|
commitdiff
|
tree
2014-06-12
Erik L
i
nd
a
hl
Make sur
e
g
e
nrestr uses
t
he disre_
u
p2 parameter
commit
|
commitdiff
|
tree
2014-06-12
E
r
ik Linda
h
l
Remove
d
undocumented -
m
ap
a
nd -mdata
o
ptio
n
s from g_sham
.
commit
|
commitdiff
|
tree
2014-06-12
Erik Lindahl
A
lways wri
t
e
o
u
tput from gen
i
on
commit
|
commitdiff
|
tree
next