repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Quiet warning
2019-01-30
Mark Abraham
F
i
x release no
t
es issue link
s
commit
|
commitdiff
|
tree
2019-01-28
Mark
A
braham
Stop trying to check nvcc o
n
Windows
commit
|
commitdiff
|
tree
2019-01-28
Mark A
b
raham
Bump CUDA requirement
to 9
.
0
commit
|
commitdiff
|
tree
2019-01-25
Mark A
b
raham
Requi
r
e cla
n
g
3
.
6
commit
|
commitdiff
|
tree
2019-01-25
Mark
A
braham
Fix pos
t
-submit b
u
ild
commit
|
commitdiff
|
tree
2019-01-25
Mark Abraham
Unif
y
regex i
m
ple
m
entatio
n
commit
|
commitdiff
|
tree
2019-01-25
Ma
r
k Abr
a
ham
Bump required
g
cc
compiler to 5
.
1
commit
|
commitdiff
|
tree
2019-01-25
Mark
A
braham
U
s
e native cmake C++11 suppo
r
t
commit
|
commitdiff
|
tree
2019-01-22
Mark Abraham
Remov
e
i
n
it_md a
n
d improve
init_em
commit
|
commitdiff
|
tree
2019-01-21
Mark Ab
r
aham
C
l
ean up ini
t
iali
z
e_lambdas
commit
|
commitdiff
|
tree
2019-01-21
Mark Abra
h
am
F
ix
tr
j
conv -ndec
commit
|
commitdiff
|
tree
2019-01-18
M
ark Ab
r
aham
Disab
l
ed i
n
ternal clFFT
w
he
n
us
i
ng MSVC with OpenCL
commit
|
commitdiff
|
tree
2019-01-18
Mark Abraham
I
mprove nvcc
error repo
r
ting
commit
|
commitdiff
|
tree
2019-01-18
Mark
Abraha
m
Remove ctest section called simple
commit
|
commitdiff
|
tree
2019-01-16
Mark Abraham
Migrate test c
o
nfiguration
off bs_mac
commit
|
commitdiff
|
tree
2019-01-16
Mark Abraham
Re
m
ove s
e
ve
r
al unnecessary things
commit
|
commitdiff
|
tree
2019-01-15
Mark
A
b
raham
Reverted standard ExternalProject for FFTW download
commit
|
commitdiff
|
tree
2019-01-14
Mark
A
brah
a
m
I
mprove portabi
l
i
ty
of PME on GPU
c
ode
commit
|
commitdiff
|
tree
2019-01-14
Mark Abraha
m
Remove
c
test sect
i
on called kernel
commit
|
commitdiff
|
tree
2019-01-14
M
a
rk Abraham
Migrate T
P
I
t
est
i
ng to Ver
l
et scheme
commit
|
commitdiff
|
tree
2019-01-13
Mark
A
bra
h
am
Improve use of gmxpr
e
process heade
r
s
commit
|
commitdiff
|
tree
2019-01-11
Mark Abraham
Use enum class for grompp direc
t
ives
commit
|
commitdiff
|
tree
2019-01-11
Ma
r
k Abraham
F
ix typ
o
in re
l
ease no
t
es
commit
|
commitdiff
|
tree
2019-01-11
Ma
r
k
Abra
h
am
A
d
d helper functio
n
ali
t
y
f
o
r s
a
fer enumera
t
ions
commit
|
commitdiff
|
tree
2019-01-10
M
a
r
k
Abrah
a
m
A
dd m
o
r
e chec
k
s for divisi
o
n by
z
ero
commit
|
commitdiff
|
tree
2019-01-10
Mark
Abra
h
a
m
A
dd
m
o
r
e checks for division by zero
commit
|
commitdiff
|
tree
2019-01-09
Mark Abraham
Fi
x
e
ioNames
commit
|
commitdiff
|
tree
2019-01-08
Mark Abraham
Fi
x
trjco
n
v
-ndec
commit
|
commitdiff
|
tree
2019-01-08
M
a
rk Abraham
Simp
l
ify re
p
ort
i
ng
of GPU sele
c
tion
commit
|
commitdiff
|
tree
2019-01-07
Mark Abr
a
ham
Fi
n
ish removing g
r
oup-scheme all-vs-al
l
support
commit
|
commitdiff
|
tree
2019-01-02
M
a
rk Abraham
Merg
e
branch release-2019
commit
|
commitdiff
|
tree
2018-12-22
Mar
k
Ab
r
aham
Fix unused p
a
rameter warning
commit
|
commitdiff
|
tree
2018-12-10
Mar
k
Ab
r
aham
Make only mdrun
r
eport process ID
commit
|
commitdiff
|
tree
2018-12-09
Mark Abra
h
am
F
ix POWER8 and POW
E
R9 build
commit
|
commitdiff
|
tree
2018-12-03
M
a
rk Abraham
Move
r
esponsi
b
ility for PME re
d
u
ction to its module
commit
|
commitdiff
|
tree
2018-11-29
Mar
k
Abraham
Removed
erronous ma
n
ual varia
b
le handling
commit
|
commitdiff
|
tree
2018-11-28
Mark Abraham
Introduce GpuBon
d
ed
commit
|
commitdiff
|
tree
2018-11-26
Mark Abraham
Clean up initial log ou
t
put
commit
|
commitdiff
|
tree
2018-11-22
Mark
Abraham
Introduce PpForceWorkload
commit
|
commitdiff
|
tree
2018-11-22
M
a
rk Abra
h
am
Merge "Merge br
a
n
ch 'releas
e
-2019
'
"
commit
|
commitdiff
|
tree
2018-11-20
Mark Ab
r
aham
Par
t
ial revert of
"Fix in
e
ffici
e
nt shell minimization"
commit
|
commitdiff
|
tree
2018-11-20
Mark
A
brah
a
m
Merge "
M
erge release-2019 into master"
commit
|
commitdiff
|
tree
2018-11-19
M
ark Abrah
a
m
Fix i
n
ef
f
icient
s
hell minimi
z
a
t
i
o
n
commit
|
commitdiff
|
tree
2018-11-15
Mark Abraham
Fix checkpo
i
nt restart of tpr with i
n
finite step co
u
nt
commit
|
commitdiff
|
tree
2018-11-15
Mark
Abrah
a
m
Relax arbitrary
t
olerance on rerun
t
est
commit
|
commitdiff
|
tree
2018-11-14
Mark A
b
raham
Fix Open
C
L mdrun fr
o
m
install
e
d path
commit
|
commitdiff
|
tree
2018-11-14
M
ark Abra
h
am
More
war
n
ing
s
u
p
pr
e
ssi
o
n
s for QMMM c
o
de
commit
|
commitdiff
|
tree
2018-11-09
Mark Abraham
D
isabled
F
PE checking for non-release bu
i
lds
commit
|
commitdiff
|
tree
2018-11-08
Mark Abraham
Pragma warning su
p
p
ressin
s
for icc+wind
o
ws
commit
|
commitdiff
|
tree
2018-11-07
Mark Abrah
a
m
Suppress cla
n
g
w
a
r
nings
a
bout QMMM
c
ode
commit
|
commitdiff
|
tree
2018-11-05
Mark Abraham
Make PME OpenC
L
enabled only for AMD devices
commit
|
commitdiff
|
tree
2018-11-05
Mark A
b
rah
a
m
R
emove sour
c
e file wit
h
no con
t
ent
commit
|
commitdiff
|
tree
2018-11-02
Ma
r
k Ab
r
ah
a
m
Q
u
iet unused var
i
able
warnings
commit
|
commitdiff
|
tree
2018-11-01
Mar
k
Ab
r
ah
a
m
Sto
p
using hwloc on old ARM slave
commit
|
commitdiff
|
tree
2018-11-01
Ma
r
k Abraham
D
isable ccache by default
commit
|
commitdiff
|
tree
2018-10-30
Mark
Abraham
I
m
prove ccache implementation
commit
|
commitdiff
|
tree
2018-10-30
M
a
rk A
b
r
a
ham
R
ename to GMX_OPENCL_NB
_
CLUSTER_SIZE
commit
|
commitdiff
|
tree
2018-10-30
M
a
rk Abr
a
ham
Updates to do
c
s f
o
r
O
penCL support
commit
|
commitdiff
|
tree
2018-10-26
Mar
k
A
b
raha
m
Merge
"Merge
b
ranch release
-
2018 into r
e
lease-2019
.
.
.
commit
|
commitdiff
|
tree
2018-10-26
Mark A
b
raham
Merge branch release-2
0
1
8
into
r
elease-2019
commit
|
commitdiff
|
tree
2018-10-25
M
ark Abraham
I
n
troduce Array
R
e
f
WithPa
d
ding
commit
|
commitdiff
|
tree
2018-10-22
Ma
r
k Abraha
m
Fix clang CUDA warnings
commit
|
commitdiff
|
tree
2018-10-16
Ma
r
k Abraham
Elimi
n
a
ted t_ifunc
f
rom t_i
n
teraction_f
u
nction
commit
|
commitdiff
|
tree
2018-10-16
Mark Abraham
T
ask assig
n
men
t
for bonded interactio
n
s on CUD
A
GPUs
commit
|
commitdiff
|
tree
2018-10-16
Mark
A
braham
Fix com
p
i
l
er issues
commit
|
commitdiff
|
tree
2018-10-16
Mark Ab
r
a
h
am
R
emoved su
p
p
ort
for NVIDIA CC 2
.
x devi
c
es (codenam
e
.
.
.
commit
|
commitdiff
|
tree
2018-10-15
M
a
r
k Abra
h
am
Improve robu
s
tn
e
ss of end-to-end
testing
commit
|
commitdiff
|
tree
2018-10-15
Ma
r
k A
b
raham
C
r
e
a
te ExclusionBlo
c
ks
commit
|
commitdiff
|
tree
2018-10-15
Mark Abraham
De-
d
uplicating mdrun
s
e
t
up
commit
|
commitdiff
|
tree
2018-10-14
Mar
k
Abraham
F
i
x
c
o
mp
i
ler warn
i
ngs
commit
|
commitdiff
|
tree
2018-10-13
Mark Abraham
Quiet com
p
iler warnin
g
s
commit
|
commitdiff
|
tree
2018-10-13
Mark Abra
h
am
Depr
e
c
a
t
e variou
s
functi
o
nality in G
R
O
MACS 2019
commit
|
commitdiff
|
tree
2018-10-12
Mar
k
A
braham
Exclude
gmxapi so
u
rce fil
e
s fr
o
m i
n
clu
d
e so
r
t
ing
commit
|
commitdiff
|
tree
2018-10-11
Mark Abr
a
ham
Fix Pa
d
ded
V
ector i
s
s
u
e
s
commit
|
commitdiff
|
tree
2018-10-11
Mark Abrah
a
m
Open mdrun log f
i
le onl
y
o
nce
commit
|
commitdiff
|
tree
2018-10-09
Mark A
b
raham
Fix
D
omdec
O
p
t
i
ons
default
commit
|
commitdiff
|
tree
2018-10-08
Mark Abraha
m
Disable FPE explici
t
ly for TPI
f
o
rce
calculation
commit
|
commitdiff
|
tree
2018-10-08
Mark Abraham
Implement PaddedVector
commit
|
commitdiff
|
tree
2018-10-08
M
ark Abraha
m
More up
d
ates to
test m
a
trix
commit
|
commitdiff
|
tree
2018-10-08
Mark A
b
r
a
ham
Fix make
test
commit
|
commitdiff
|
tree
2018-10-07
Mark Ab
r
a
h
a
m
Tes
t
w
ith gcc 8 and c
u
da 10
commit
|
commitdiff
|
tree
2018-10-05
M
a
r
k
A
b
raham
Check
l
og
a
nd other files differently during
a
p
p
ending
.
.
.
commit
|
commitdiff
|
tree
2018-10-05
Mark Abra
h
a
m
Change
to test TS
A
N
w
ith clan
g
and
libomp
commit
|
commitdiff
|
tree
2018-10-04
Mark A
b
raham
Replace CUDA
call de
p
rec
a
t
e
d
i
n CUDA 10
commit
|
commitdiff
|
tree
2018-10-04
Mark Abrah
a
m
Extract helper funct
i
ons for pre
p
a
r
ing f
o
r appen
d
ing
commit
|
commitdiff
|
tree
2018-10-04
Mark Abraham
Simplify EM usage of mdebin
commit
|
commitdiff
|
tree
2018-10-03
M
ark Abraham
U
se fast returns in md5
com
p
uta
t
ion
commit
|
commitdiff
|
tree
2018-10-03
M
ark Abraham
Add end-to-end te
s
ts of energy
m
inimization
commit
|
commitdiff
|
tree
2018-10-03
Mar
k
Abraham
Basi
c
modernization of md5 handling
commit
|
commitdiff
|
tree
2018-10-02
M
ar
k
Abrah
a
m
R
educe mdrun tests usin
g
group scheme
commit
|
commitdiff
|
tree
2018-10-01
Mark Abrah
a
m
Fix gcc-
8
warnings abo
u
t strings
commit
|
commitdiff
|
tree
2018-10-01
Mark Abr
a
h
am
Add rele
a
se notes for
removing non-reproducib
l
e aspects
commit
|
commitdiff
|
tree
2018-10-01
M
a
rk Abraham
Tests
f
or md5 comp
u
tation on open files
commit
|
commitdiff
|
tree
2018-09-29
Mar
k
Abraham
Remove NVM
L
su
p
po
r
t
commit
|
commitdiff
|
tree
2018-09-29
M
a
r
k Abra
h
am
Stop
I
CC ICE
commit
|
commitdiff
|
tree
2018-09-28
Mark Abraham
U
se mo
r
e default initiali
z
ation of mdr
u
n structs
commit
|
commitdiff
|
tree
2018-09-28
Mark Abr
a
ham
Make some
symbols in gmx
p
r
e-config
.
h
a
l
w
ay
s
defi
n
ed
commit
|
commitdiff
|
tree
2018-09-26
Mark Ab
r
aham
Clar
i
fy distinct
p
aths f
o
r m
d
r
u
n log fi
l
e handling
commit
|
commitdiff
|
tree
2018-09-24
Mark Ab
r
aha
m
Fix
Doxygen links
commit
|
commitdiff
|
tree
2018-09-23
M
ark Abraham
Leak le
s
s fro
m
gromppp
with cmap
commit
|
commitdiff
|
tree
next