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New Twitter-based quote
2020-10-19
E
r
ik Lindahl
N
e
w Twitter-bas
e
d quote
commit
|
commitdiff
|
tree
2020-10-07
E
rik Lindahl
New rele
a
se, ne
w
quotes!
commit
|
commitdiff
|
tree
2020-09-15
E
r
ik Lind
a
hl
Enable GMX_G
P
U=SYCL com
p
ile
s
commit
|
commitdiff
|
tree
2020-09-15
Erik Lindah
l
Fix
minor warnings no
t
iced by
I
n
tel compilers
commit
|
commitdiff
|
tree
2020-08-20
Eri
k
L
i
nd
a
hl
Enable CI
testing
of Ope
n
A
PI / OpenCL
commit
|
commitdiff
|
tree
2020-08-13
E
rik L
i
ndahl
CMake SYCL & I
n
t
el
O
pe
n
MP handling
commit
|
commitdiff
|
tree
2020-08-04
Erik Linda
h
l
Simpl
i
f
i
ed uniform GPU s
e
lect
i
on in
C
M
a
ke
commit
|
commitdiff
|
tree
2020-06-17
Erik Li
n
dahl
Simp
l
ified uniform GPU se
l
ection in
CM
a
ke
commit
|
commitdiff
|
tree
2020-06-15
E
rik Lind
a
hl
Replace triv
a
lue options
wi
t
h
p
l
a
in booleans
commit
|
commitdiff
|
tree
2020-06-11
Erik
Lind
a
h
l
Rep
l
ace
t
rivalue
options
with plain booleans
commit
|
commitdiff
|
tree
2020-06-10
Erik Lindahl
Replace auto
m
atic rdtscp
c
h
ec
k
s with bool
e
an option
commit
|
commitdiff
|
tree
2020-06-09
Erik Lindahl
Avoid using AUT
O
se
t
tings in CI
b
uilds
commit
|
commitdiff
|
tree
2020-06-03
Erik Lindahl
Rem
o
ve 'register'
stora
g
e cl
a
ss in clFF
T
commit
|
commitdiff
|
tree
2020-05-25
Erik
Lindah
l
Fix warnings on llv
m
11
c
ompi
l
e
rs
commit
|
commitdiff
|
tree
2020-01-07
Erik Lindahl
Wri
t
e
TPR body as
o
paque XDR data in big-e
n
di
a
n forma
t
commit
|
commitdiff
|
tree
2020-01-01
Erik Linda
h
l
Add
l
ink to paper expl
a
i
n
ing GRO
M
O
S
twin
-
range iss
u
es
.
commit
|
commitdiff
|
tree
2019-12-29
Erik Lindahl
Write
TPR bo
d
y a
s
opaque X
D
R data in big
-
end
i
an
f
ormat
commit
|
commitdiff
|
tree
2019-11-13
Erik Lindahl
U
pda
t
ed physical constan
t
s to C
O
DA
T
A 2018
commit
|
commitdiff
|
tree
2019-11-06
Erik Lindahl
Work arou
n
d
br
o
ken
A
p
ple compilers in Mac OS 10
.
15
commit
|
commitdiff
|
tree
2019-11-06
Erik L
i
ndahl
W
ork around
broken
Apple
c
o
m
piler
s
in Mac OS
10
.
1
5
commit
|
commitdiff
|
tree
2019-09-13
Erik Lindahl
Add rounding correcti
o
n
t
o unsafe simd exp tes
t
s too
commit
|
commitdiff
|
tree
2019-09-13
Erik Lindahl
Fix clang t
i
dy warning
s
in S
I
MD code
commit
|
commitdiff
|
tree
2019-09-12
Erik Lindahl
Adjust t
e
st range
a
nd
fix
s
ingleaccuracy t
e
sts
commit
|
commitdiff
|
tree
2019-09-12
Erik Li
n
d
a
hl
Add
e
d
S
IMD cbrt and
invc
b
rt
f
unctions
commit
|
commitdiff
|
tree
2019-09-12
Eri
k
Lin
d
ahl
A
dded SIMD log2
a
n
d
p
o
w ma
t
h functions
commit
|
commitdiff
|
tree
2019-09-12
Erik
L
i
nda
h
l
Upda
t
e S
I
MD math te
s
ts and improve
a
ccuracy
commit
|
commitdiff
|
tree
2019-09-03
Erik Lindahl
Fix CPU detect
i
o
n
and SIMD on modern
M
ac/cmake comb
o
s
commit
|
commitdiff
|
tree
2019-08-30
Erik L
i
ndah
l
Fix CP
U
detect
i
on and SIMD on
mo
d
ern Mac/c
m
ake c
o
m
b
os
commit
|
commitdiff
|
tree
2019-08-29
Erik Lindahl
So
m
e
q
uotes I
b
umped into la
s
t
week
commit
|
commitdiff
|
tree
2019-08-23
Erik Lindahl
Default
t
o AVX
2
_
25
6
SIMD for Zen2
commit
|
commitdiff
|
tree
2019-08-20
Erik Linda
h
l
Avoid using GMX_SIMD m
a
c
r
os
to de
t
ect _mm_pause()
commit
|
commitdiff
|
tree
2019-06-09
Erik Lindahl
Mor
e
quotes
commit
|
commitdiff
|
tree
2019-05-16
E
r
ik Lindahl
Add
e
d more
q
uotes
commit
|
commitdiff
|
tree
2018-08-14
E
r
ik Lindahl
Fix SIMD anyTru
e
b
u
g, and add
b
e
t
ter unit test
commit
|
commitdiff
|
tree
2018-06-06
Erik
L
i
n
dahl
Use
d
efault CMake path
variab
l
e
s
commit
|
commitdiff
|
tree
2018-06-06
Erik Lindahl
Bu
m
p GMX_BUI
L
D_OWN_FFTW to 3
.
3
.
8 to avoid bugs
commit
|
commitdiff
|
tree
2018-01-10
Erik
L
i
n
dahl
Improve
pdb2g
m
x for nonstandard resid
u
e ty
p
es
commit
|
commitdiff
|
tree
2018-01-10
Erik L
i
ndahl
Clarifi
e
d gmx
rm
s
f documentation
commit
|
commitdiff
|
tree
2018-01-05
Erik Lindahl
Test that nvcc/host
compiler com
b
o
w
orks
commit
|
commitdiff
|
tree
2018-01-05
Erik Lindahl
M
ake
TNG writing w
o
rk with multip
l
e iden
t
ica
l
s
t
eps
commit
|
commitdiff
|
tree
2018-01-05
Erik
Lindahl
A
d
d
AVX_
5
12 and
KNC symbols to FFTW SIMD t
e
st
commit
|
commitdiff
|
tree
2018-01-04
Er
i
k
L
i
ndahl
Improve frame time/step handling in trjconv
commit
|
commitdiff
|
tree
2018-01-04
E
rik Li
n
da
h
l
Implement cha
n
ges for CMake policy
0
068
commit
|
commitdiff
|
tree
2018-01-03
Erik Lindahl
Fix trjconv for tdump<frame ti
m
estep
commit
|
commitdiff
|
tree
2018-01-03
Erik Lindahl
F
i
x index error in gmx
c
hi
commit
|
commitdiff
|
tree
2018-01-03
Erik Lin
d
ahl
Fi
x
complexit
y
f
or la
r
ge exclusio
n
orders
commit
|
commitdiff
|
tree
2018-01-03
Erik Linda
h
l
Don't allow
multiple en
e
rgy grou
p
s
f
o
r GPU r
u
ns
commit
|
commitdiff
|
tree
2018-01-03
Erik Lindahl
Remove dupl
i
cation
s
in GMXLIB search pat
h
s
commit
|
commitdiff
|
tree
2018-01-03
Erik
L
i
n
da
h
l
Avoid FTZ tr
i
ggering simd
t
est failures
commit
|
commitdiff
|
tree
2018-01-02
E
rik
Lind
a
hl
D
o
c
ument required
position restrai
n
t
f
iles
commit
|
commitdiff
|
tree
2018-01-02
Erik Linda
h
l
A
l
low
e
m
p
ty lines in hdb files
commit
|
commitdiff
|
tree
2018-01-02
Erik
Lindahl
Fix OpenCL c
o
mpiles
on
Mac OS
commit
|
commitdiff
|
tree
2018-01-02
Erik Li
n
da
h
l
Improve man
u
al from comments by Gang Liu
commit
|
commitdiff
|
tree
2018-01-02
Erik Lin
d
ahl
Make it explicit that time units apply to begin/en
d
.
.
.
commit
|
commitdiff
|
tree
2018-01-02
Erik Lin
d
ahl
Don't r
e
quir
e
mat
c
hing names between rtp and tdb files
commit
|
commitdiff
|
tree
2018-01-02
Erik Lindah
l
Don't write reference pull group
0
to log
commit
|
commitdiff
|
tree
2018-01-01
Erik L
i
ndahl
F
ix gmx de
n
s
i
ty for non-mass
c
al
c
ulations
commit
|
commitdiff
|
tree
2018-01-01
Er
i
k
L
indahl
Clarify XTC e
r
ror mess
a
ge
commit
|
commitdiff
|
tree
2017-12-26
Erik
L
indahl
Fix builds on ARM & clarify (ARM) GPU support
commit
|
commitdiff
|
tree
2017-12-19
Erik Lind
a
hl
Use re
d
uced def
a
ult tolera
n
ces f
o
r
tpx compar
i
so
n
commit
|
commitdiff
|
tree
2017-12-14
E
rik
Lindahl
Work
a
r
o
und AVX-512 i
s
s
ues in gcc-5
.
4 and 7
.
1
commit
|
commitdiff
|
tree
2017-12-14
Erik L
i
ndahl
Fix PB
C
error in
g
m
x
_spatial
commit
|
commitdiff
|
tree
2017-12-12
E
rik Li
n
dahl
Documented powe
r
spectr
u
m
t
o
g
mx ve
l
acc
commit
|
commitdiff
|
tree
2017-12-12
E
rik Lindahl
Require TPR fil
e
f
or gmx
c
l
u
s
t
e
r
commit
|
commitdiff
|
tree
2017-12-12
Erik
L
i
nd
a
hl
Dis
a
l
low ascii for
m
a
t
s for gmx
t
rjcat
commit
|
commitdiff
|
tree
2017-12-11
Erik
L
inda
h
l
R
emo
v
e duplic
a
ted li
n
es f
r
o
m
OPL
S
ff
b
onded
.
itp
commit
|
commitdiff
|
tree
2017-12-11
Eri
k
Lind
a
hl
Don't warn about
NVM
L
clocks that are at max
commit
|
commitdiff
|
tree
2017-12-10
Erik
Lindahl
Re
v
ert
"
Disable default-on NVML support i
n
CMak
e
"
commit
|
commitdiff
|
tree
2017-12-07
E
r
ik Lindahl
Added cool quot
e
from Viv
e
c
a
's defense
commit
|
commitdiff
|
tree
2017-12-04
Erik Lind
a
hl
Fix compilation issu
e
s for AV
X
-512
commit
|
commitdiff
|
tree
2017-11-28
Erik Lindahl
Fix AVX-512 SIMD test for C
commit
|
commitdiff
|
tree
2017-11-28
Er
i
k L
i
n
dahl
I
mprove statu
s
mes
s
age
s
f
or SIMD checks
commit
|
commitdiff
|
tree
2017-11-27
Er
i
k
Li
n
dah
l
Test more AVX
-
512F i
n
s
t
ructions b
e
fore enabling support
commit
|
commitdiff
|
tree
2017-11-24
E
r
ik Lindahl
Detect A
V
X-512
FMA u
n
its
to choose best SI
M
D
commit
|
commitdiff
|
tree
2017-11-21
Erik Lind
a
hl
Separate SI
M
D flag de
t
e
c
t
ion from
manageme
n
t
commit
|
commitdiff
|
tree
2017-11-12
E
rik
Lindahl
On
l
y
i
ssu
e
FF
T
warning
messages on cha
n
ges
commit
|
commitdiff
|
tree
2017-09-12
Erik Linda
h
l
I
m
pr
o
ve acc
u
racy o
f
SI
M
D e
x
p for s
m
all args
commit
|
commitdiff
|
tree
2017-09-04
Erik Linda
h
l
More SIMD mat
h
argument check
i
ng
,
added u
n
safe opt
i
ons
commit
|
commitdiff
|
tree
2017-08-28
Erik
L
i
ndah
l
I
m
p
r
oved SIMD test data to u
s
e
al
l
bits
commit
|
commitdiff
|
tree
2017-06-26
Erik Linda
h
l
Fix ARM NEON simd debug builds
commit
|
commitdiff
|
tree
2017-06-13
Er
i
k Lindahl
More quot
e
s
commit
|
commitdiff
|
tree
2017-05-23
E
rik L
i
ndahl
Updated cool quotes
commit
|
commitdiff
|
tree
2017-04-17
Erik Linda
h
l
Fixed
AV
X
-512F compil
e
r fl
a
gs
commit
|
commitdiff
|
tree
2017-03-19
Erik Lindahl
Use OpenMP up to 16 thr
e
a
d
s wi
t
h
A
MD Ryzen
commit
|
commitdiff
|
tree
2017-03-19
E
rik Lind
a
hl
128-bit AV
X
2 SIMD f
o
r AMD Ryzen
commit
|
commitdiff
|
tree
2017-03-14
Erik
L
indahl
Fix gc
c
comp
i
les
o
f
A
VX-512
SIM
D
commit
|
commitdiff
|
tree
2017-02-09
E
r
i
k
Lindahl
W
or
k
a
r
o
u
nd fals
e
x
lc-13
.
1
.
5
b
ug in SIM
D
test
commit
|
commitdiff
|
tree
2016-10-17
E
r
ik Li
n
dahl
New classes for spline interpol
a
tion tabl
e
s
commit
|
commitdiff
|
tree
2016-09-07
Erik Lindahl
Bump
oldest cmak
e
,
compiler and CUDA v
e
rsio
n
s
required
commit
|
commitdiff
|
tree
2016-08-05
Erik Lindahl
Fix p
r
oper re
l
ative tolerance ch
e
cking in testut
i
ls
commit
|
commitdiff
|
tree
2016-07-11
E
rik Li
n
d
a
hl
Fix membed with part
i
al revert of 29943f
commit
|
commitdiff
|
tree
2016-07-09
Erik Lind
a
hl
Ha
r
dw
a
re
detection clean-up
and pre/post-
p
rocessing
commit
|
commitdiff
|
tree
2016-07-09
E
r
i
k Linda
h
l
Prevent frag
i
le use cases of
ch
e
ckpoint appen
d
ing
commit
|
commitdiff
|
tree
2016-07-08
Erik Lindah
l
Update affinity
c
hecking fo
r
Intel co
m
pi
l
e
r
commit
|
commitdiff
|
tree
2016-07-08
Erik Li
n
dahl
Add
d
etection
for
A
RMv7 cycle co
u
nter support
commit
|
commitdiff
|
tree
2016-07-08
E
r
ik Lindahl
W
o
r
k aro
u
nd compiler issue with random test
commit
|
commitdiff
|
tree
2016-07-07
Erik
L
in
d
ahl
Redu
c
e hw
l
oc & cpuid test requirements
commit
|
commitdiff
|
tree
2016-06-08
Erik Li
n
da
h
l
Disable static libcudart on
O
S
X
commit
|
commitdiff
|
tree
2016-06-04
Erik Lindah
l
Check number of
i
tems read i
n
mdp statements
commit
|
commitdiff
|
tree
2016-05-27
Erik Li
n
d
ahl
Detec
t
the
u
sage of hwtop XML caching
commit
|
commitdiff
|
tree
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