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More quotes
2015-06-26
E
rik Lin
d
ahl
F
ix compile issues o
n
K computer
commit
|
commitdiff
|
tree
2015-06-26
E
r
i
k Lindahl
Fix
b
uffer
s
i
ze
issue
s
in st
r
ing d
a
ta
b
ase
commit
|
commitdiff
|
tree
2015-06-25
Er
i
k Lindahl
Fix edr ap
p
ending a
n
d exac
t
c
o
ntinuation
commit
|
commitdiff
|
tree
2015-06-25
Erik L
i
ndahl
Fix
binary e
x
act continuation fo
r
traj
e
ctori
e
s
commit
|
commitdiff
|
tree
2015-06-24
Erik
Lindahl
Avoid accessi
n
g
h
ackbloc
k
s for x2top
commit
|
commitdiff
|
tree
2015-06-23
E
rik Lindahl
Updated physical constan
t
s from NI
S
T 2
0
10
C
ODATA
commit
|
commitdiff
|
tree
2015-06-23
Erik
L
i
nda
h
l
Removed buggy
-
s
m
ooth hac
k
in hbond
module
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Fi
x
compil
e
r
warni
n
gs in cmake tests
commit
|
commitdiff
|
tree
2015-06-22
E
r
ik Lindahl
Use MPI_THREAD_FUNNEL
E
D
when av
a
i
l
able
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
Fix
s
egfault in
r
andom acce
s
s XTC s
e
a
rchi
n
g
commit
|
commitdiff
|
tree
2015-06-22
E
r
ik Lindah
l
Fix argume
n
t
order error
f
o
r g_r
m
s
dist
commit
|
commitdiff
|
tree
2015-06-22
Eri
k
Lindahl
Fix gro errors with PDB
i
nsertion code
s
commit
|
commitdiff
|
tree
2015-06-20
Erik L
i
ndahl
Upda
t
ed docs for g_g
y
rate
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Fix po
t
ential buffer overflow in pdb2g
m
x
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Disallow infinite epsilo
n
with PME or GB
.
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Remove
G
MX_MAX_MPI_T
H
READS
commit
|
commitdiff
|
tree
2015-06-20
Er
i
k Lindahl
Fix r
e
producibility bug in fft5d
commit
|
commitdiff
|
tree
2015-06-20
Erik Lindahl
Hand
l
e
m
u
lti
d
ir/multisim with single
a
rgument correctly
commit
|
commitdiff
|
tree
2015-06-19
Erik Lindahl
Fix inco
r
rect shift with
g
_density -center
commit
|
commitdiff
|
tree
2015-06-16
Erik Li
n
dahl
Fix CUDA ve
r
sion info in
N
V
ML app
l
i
cation cl
o
ck warning
commit
|
commitdiff
|
tree
2015-06-16
Erik Lindahl
Add memb
r
ane embed
d
ing doc
s
commit
|
commitdiff
|
tree
2015-06-16
E
r
ik L
i
n
d
ahl
Upd
a
ted FFTW recommendations i
n
insta
l
l-guide
.
commit
|
commitdiff
|
tree
2015-06-16
Eri
k
Lindah
l
Fix segfault with timer
r
eset and -nb cpu
commit
|
commitdiff
|
tree
2015-06-16
E
rik Lindahl
Avoid warning about affini
t
y on
Blue Gene, reduce war
n
ings
commit
|
commitdiff
|
tree
2015-06-15
Erik Lindahl
Fix O
S
X FFTW build fai
l
ures intro
d
uced
8
6a772
commit
|
commitdiff
|
tree
2015-06-15
Erik L
i
ndah
l
Fixed
S
I
MD detection and flags common for IBM archs
commit
|
commitdiff
|
tree
2015-06-07
Erik Lindahl
Fi
x
out-of-range integer literals for threefr
y
commit
|
commitdiff
|
tree
2015-06-04
Erik Linda
h
l
Mo
r
e new
quotes
commit
|
commitdiff
|
tree
2015-05-17
E
rik Linda
h
l
Added
h
acks for
S
IM
D
rvec/load store in lincs & b
o
ndeds
commit
|
commitdiff
|
tree
2015-03-30
E
rik L
i
nda
h
l
Quote fro
m
Szilard's talk at GTC2015
commit
|
commitdiff
|
tree
2015-03-25
Erik Lindahl
Quot
e
from Jen-
H
sun at the NVIDIA GTC conference 2015
commit
|
commitdiff
|
tree
2015-03-03
Erik Lin
d
ahl
Ad
d
ed s
i
ngle-accuracy SIMD double math fun
c
t
io
n
s
commit
|
commitdiff
|
tree
2015-02-24
Erik Lind
a
h
l
Add
e
d
AVX-512ER S
I
MD support
commit
|
commitdiff
|
tree
2015-02-24
Er
i
k Lindahl
Add AVX-51
2
F
SIMD
s
u
p
por
t
commit
|
commitdiff
|
tree
2015-02-20
Erik L
i
n
dahl
Famous quote from Colleen McCullough
commit
|
commitdiff
|
tree
2015-02-20
Erik Lindahl
Add
e
d
t
w
o pop-cult
u
re
quote
s
from
A
n
d
y
W
arho
l
.
commit
|
commitdiff
|
tree
2015-01-19
Erik Lindahl
A
d
ded
two quotes fr
o
m Julie Bernauer habilitation
commit
|
commitdiff
|
tree
2014-09-30
Eri
k
L
i
ndah
l
Ad
d
Power8 VSX SIMD suppo
r
t
commit
|
commitdiff
|
tree
2014-09-30
E
rik
Lin
d
ahl
Avoid us
i
n
g
fu
n
ction calls in Op
e
nMP
d
irectives
commit
|
commitdiff
|
tree
2014-09-22
Erik Lin
d
ahl
More quo
t
es
commit
|
commitdiff
|
tree
2014-09-20
Erik
Li
n
dahl
Fix Re
l
Wit
h
Deb
I
nfo n
a
me bugs, and
use full optim
i
z
a
tion
.
commit
|
commitdiff
|
tree
2014-09-20
Erik
L
indah
l
Added
a
bunch of
n
ew and old quot
e
s
.
commit
|
commitdiff
|
tree
2014-09-18
Er
i
k
Lindahl
Add Powe
r
/PowerPC
V
MX SIMD
s
up
p
ort
commit
|
commitdiff
|
tree
2014-09-11
Erik Lindahl
Enable
static anon
n
amespace work
a
round on pathscale
commit
|
commitdiff
|
tree
2014-09-10
Erik Lin
d
ahl
Improve performance of MIC exponen
t
ia
l
commit
|
commitdiff
|
tree
2014-09-08
Eri
k
Linda
h
l
Add
6
4-b
i
t AArch64 asimd SI
M
D support
commit
|
commitdiff
|
tree
2014-09-08
Eri
k
L
indahl
Add
3
2-
b
it ARM Neon SIMD suppo
r
t
commit
|
commitdiff
|
tree
2014-09-04
E
r
ik
L
indahl
K
-
com
p
uter
s
pecific
m
odific
a
tions
commit
|
commitdiff
|
tree
2014-09-03
Erik Lin
d
ahl
F
i
x
ed sc_power==48 crash in single precision
commit
|
commitdiff
|
tree
2014-09-03
Er
i
k Li
n
dahl
Fixed preprocessor er
r
or for AVX_
1
28_FMA simd
commit
|
commitdiff
|
tree
2014-09-02
Erik Lindahl
Fix fo
r
matting
o
f
fa
t
al
errors in g_
b
ar
commit
|
commitdiff
|
tree
2014-09-02
Erik Lindahl
Fixed
s
t
r
ing v
a
r e
x
pan
s
ion in CMake
due to
C
MP0053
commit
|
commitdiff
|
tree
2014-08-31
Erik Lindahl
A
d
ded neg
a
tive zero preprocess
o
r co
n
s
tants
commit
|
commitdiff
|
tree
2014-08-20
Erik Linda
h
l
A
dd _GNU_SOU
R
CE=1 to
find clone() wi
t
h PGI
commit
|
commitdiff
|
tree
2014-08-20
E
r
ik Lindahl
Fix
m
a
trix pointer deref
e
rence bug
i
n
update
.
c
commit
|
commitdiff
|
tree
2014-08-20
Erik
Lindahl
Enable
SIMD
r
e
g
i
ster calling conv
e
ntion with gmx_simdcall
commit
|
commitdiff
|
tree
2014-08-20
Erik Lindahl
A
dd cy
c
l
e
c
ounters for 64-bit ARM
commit
|
commitdiff
|
tree
2014-08-20
E
r
ik Lindahl
Shorten plugin confi
g
uration messag
e
commit
|
commitdiff
|
tree
2014-08-17
Erik
L
indahl
Fix Portland compile
r
warni
n
gs
commit
|
commitdiff
|
tree
2014-08-10
Erik Lindahl
Make intern
a
l
B
LAS/LAPACK messages le
s
s no
i
sy
commit
|
commitdiff
|
tree
2014-08-10
Erik Lindahl
Improve Groma
c
s
p
ortability
commit
|
commitdiff
|
tree
2014-08-10
E
rik
Lindahl
Replace __LP64__ wit
h
c
heck for
pointer
size
commit
|
commitdiff
|
tree
2014-08-07
E
r
i
k
L
indahl
Fix po
r
ta
b
ili
t
y issu
e
with Arr
a
yRef initialize
r
ov
e
rloading
commit
|
commitdiff
|
tree
2014-08-07
Erik Lind
a
h
l
Changed
names
o
f test files
t
o a
v
oid F
u
jitsu compiler bug
commit
|
commitdiff
|
tree
2014-08-01
Erik Lindahl
Added tests for de
n
ormal and
u
n
der
f
low
f
or simd exp()
commit
|
commitdiff
|
tree
2014-07-27
Erik Lindahl
Fix selecti
o
n of xtc groups
n
ot
s
tarting at
ind
e
x
0
commit
|
commitdiff
|
tree
2014-07-13
Erik Linda
h
l
Avoid clang/32 optimiz
a
t
i
on af
f
ect
i
ng
IEEE e
n
dian d
e
tecti
o
n
commit
|
commitdiff
|
tree
2014-07-11
Erik
Linda
h
l
Make AVX
2
che
c
k
more robus
t
commit
|
commitdiff
|
tree
2014-07-08
E
rik Lindahl
Make IEEE754 check more robu
s
t
commit
|
commitdiff
|
tree
2014-06-29
Er
i
k Lindahl
F
i
xed free energy with LJ-PME
commit
|
commitdiff
|
tree
2014-06-29
Eri
k
L
i
nd
a
hl
Enable
r
tp a
n
gle/dihedral entrie
s
not connected by
.
.
.
commit
|
commitdiff
|
tree
2014-06-28
Er
i
k Lindahl
Fixed
C
MAP generation for
a
l
a
n
ine dipe
p
tide special
.
.
.
commit
|
commitdiff
|
tree
2014-06-27
E
r
i
k Li
n
dahl
Always set b-state
p
osres, ev
e
n
if iden
t
i
cal to
a-state
commit
|
commitdiff
|
tree
2014-06-27
Eri
k
L
i
ndah
l
Upda
t
e g_
d
en
s
ity to handle bilayers better
commit
|
commitdiff
|
tree
2014-06-27
Er
i
k
L
indahl
Fix LJPME Lorentz-Bert
h
elo
t
combination rules
commit
|
commitdiff
|
tree
2014-06-27
Er
i
k Li
n
dahl
Improve PDB I/O (keep occupancy, b-fa
c
t
or, element)
commit
|
commitdiff
|
tree
2014-06-27
Erik Lindahl
Avoid warnin
g
s a
b
out coupling when fre
e
_
ener
g
y
=
no
commit
|
commitdiff
|
tree
2014-06-25
Er
i
k
Lindahl
Updated
A
mber GBSA parame
t
e
r
s
commit
|
commitdiff
|
tree
2014-06-25
E
rik Li
n
dahl
Make so
u
rce compile under
L
i
n
ux X32 ABI
commit
|
commitdiff
|
tree
2014-06-25
E
rik Lindahl
Make it
h
a
rder for
co
m
piler to op
t
imize aw
a
y SIMD CM
a
ke
.
.
.
commit
|
commitdiff
|
tree
2014-06-24
E
r
ik Lindahl
Fixed
G
ROMOS a
s
signment of PRO-NH ter
m
inus torsion
s
commit
|
commitdiff
|
tree
2014-06-24
Erik Lindahl
Make sure dup
l
icates bondeds
are set from ha
c
kblo
c
ks
commit
|
commitdiff
|
tree
2014-06-24
Erik Lindahl
Clean up CMAP placement in pa
r
am
e
ter
l
i
s
t
commit
|
commitdiff
|
tree
2014-06-24
Er
i
k L
i
ndahl
Added multisimulation info
to lo
g
/output
commit
|
commitdiff
|
tree
2014-06-24
Erik Lindahl
Fixed
r
ecent
bug with disp
.
c
o
r
r
.
and vdwtype=
s
h
ift
commit
|
commitdiff
|
tree
2014-06-23
Erik Lindahl
E
n
able
t
erminus-
s
pecific atom tran
s
la
t
ion
commit
|
commitdiff
|
tree
2014-06-23
Erik Lindahl
E
nable 4-letter resna
m
e in PD
B
ou
t
p
ut, keeps
more pdbi
n
fo
.
commit
|
commitdiff
|
tree
2014-06-23
Erik Lind
a
h
l
Detect non-fatal warnings
w
hen try
i
n
g CFlags for
source
commit
|
commitdiff
|
tree
2014-06-23
E
r
ik Lindahl
Enable x
v
gr o
u
tput a
n
d labels
f
o
r
g_principal
commit
|
commitdiff
|
tree
2014-06-23
Erik Lindahl
Disallow e
x
tracti
n
g V/F from XT
C
f
i
les
in
g_traj
commit
|
commitdiff
|
tree
2014-06-23
E
rik Linda
h
l
Warn if using nsteps
=
0
without continuation=yes
commit
|
commitdiff
|
tree
2014-06-22
Er
i
k Li
n
dahl
Mak
e
log file opt
i
on listin
g
similar
t
o
mdp names
commit
|
commitdiff
|
tree
2014-06-21
Erik Lindahl
Make sure
masses are cop
i
e
d
f
r
o
m ter
m
ini da
t
abases
commit
|
commitdiff
|
tree
2014-06-18
E
r
ik
L
i
ndahl
Fixed C
M
ake 2
.
8
.
12+
CUDA dylib bugs and warnings on
.
.
.
commit
|
commitdiff
|
tree
2014-06-17
Erik
L
i
ndahl
Di
s
able
d
r
e
plica exchan
g
e
whe
n
T not
i
n
o
r
der
commit
|
commitdiff
|
tree
2014-06-14
Eri
k
Linda
h
l
Make sure fi
g
ure
l
egen
d
s are adap
t
ed
t
o
xmgr/x
m
grace
commit
|
commitdiff
|
tree
2014-06-13
Erik Lindahl
F
o
rce
g_b
o
nd t
o
use structure fil
e
commit
|
commitdiff
|
tree
2014-06-12
Er
i
k Lind
a
hl
Added d
u
mmy mas
s
for charmm TYR aro
m
at
i
c v
s
ites
commit
|
commitdiff
|
tree
2014-06-12
Erik Lindahl
Make sure genrestr uses the
disre_up2 parameter
commit
|
commitdiff
|
tree
2014-06-12
Erik Lin
d
ah
l
Removed u
n
documented -ma
p
and -mdata
o
ptions from g_sham
.
commit
|
commitdiff
|
tree
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