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Refactor error handling in init_gpu
2017-07-07
Mar
k
Abr
a
h
a
m
Refactor error handling in
init_gp
u
commit
|
commitdiff
|
tree
2017-07-06
M
a
rk Abraham
Simplify gmx_g
p
u_opt_t
commit
|
commitdiff
|
tree
2017-07-04
M
ark Ab
r
aham
Clean
up pick_
n
bn
x
n_reso
u
rces
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
C
l
eaned
u
p GPU emulation logic
commit
|
commitdiff
|
tree
2017-06-28
M
ark Abraham
Clean
e
d up high-level
b
oolean
v
ar
i
able naming
commit
|
commitdiff
|
tree
2017-06-28
Mar
k
A
b
raha
m
Merg
e
b
ranch releas
e
-2016
commit
|
commitdiff
|
tree
2017-06-27
Mark Abr
a
ham
Min
o
r improvemen
t
s
to test con
f
igs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolid
a
ted logic for cho
o
sing nu
m
ber of thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Repla
c
e misnamed
n
b
n
x
n_gpu_acceleration_su
p
por
t
ed
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidate
and
f
ix log
i
c for mdrun -nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Reform
ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Ma
r
k Abrah
a
m
Re
m
ove
b
U
s
erS
e
tGpuIds field
commit
|
commitdiff
|
tree
2017-06-14
Mark Abraham
S
i
m
p
l
ify
report
i
ng
from init_gp
u
commit
|
commitdiff
|
tree
2017-06-12
Mark
A
braham
Move
g
mx
_
pars
e
_g
p
u_id out of check
i
ng fu
n
ction
commit
|
commitdiff
|
tree
2017-05-31
M
ark Ab
r
aham
New quote
commit
|
commitdiff
|
tree
2017-05-30
Mark
Abraham
Fix NVML erro
r
messa
g
es
commit
|
commitdiff
|
tree
2017-05-27
Mar
k
Abraham
Quotes from Got
t
ingen workshop
commit
|
commitdiff
|
tree
2017-05-26
M
ark
A
br
a
ham
Test invsixthroot func
t
ion as
inte
n
ded
commit
|
commitdiff
|
tree
2017-05-15
Mar
k
A
b
rah
a
m
Updat
e
d
u
se of compile
r
s
p
ecifi
e
r
s
i
n
testin
g
commit
|
commitdiff
|
tree
2017-05-15
Mark Ab
r
aham
Updated use of
gcc-5
speci
f
i
e
rs
commit
|
commitdiff
|
tree
2017-05-15
M
a
rk Abraham
U
p
d
ate
c
lang stati
c
an
a
lyzer slav
e
t
o u
s
e version 4
commit
|
commitdiff
|
tree
2017-05-14
Mark
A
braham
Update clang
-
4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abra
h
am
Fix f
o
rmat
t
ing o
f
M
K
L cmake do
c
s
commit
|
commitdiff
|
tree
2017-05-09
Mark
Abr
a
ham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abrah
a
m
Cleaned up memory usage in gmx traj and
trjconv
commit
|
commitdiff
|
tree
2017-04-22
Mark
A
br
a
ham
Clean up memor
y
u
sage with oenv
and
xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Mark
A
braham
Mino
r
chang
e
t
o GPU compatibility
r
eporting h
a
ndling
commit
|
commitdiff
|
tree
2017-04-17
Mark A
b
raham
P
ropo
s
e a po
s
t-
s
ubmit
m
a
t
rix
commit
|
commitdiff
|
tree
2017-04-03
Mark Abraham
Remove
do_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
M
ar
k
Abrah
a
m
Mer
g
e
b
ranch release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix
p
aramet
e
r d
e
s
c
ription for dihedra
l
_restra
i
n
t
s
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add section to user guide for managing simulati
o
n
s
commit
|
commitdiff
|
tree
2017-03-19
Mark Abrah
a
m
Fix
s
trin
g
handling
f
or gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k Abraham
M
e
rge branch release-
2
016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abr
a
ham
Bumped
v
ersion t
o
p
r
epa
r
e for next patch release
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k Abraham
Vers
i
on 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraha
m
Modernize w
r
ite_inp
f
i
le
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k
Ab
r
aham
Moderniz
e
r
e
ad_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Ab
r
a
h
am
Tests for grompp
-f -po
commit
|
commitdiff
|
tree
2017-03-09
M
a
rk A
b
raham
Refactor GP
U
s
e
lection
handling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraha
m
Fix mi
n
or issues in gmx
t
raj -a
v
-a
f
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
F
i
xes
f
or xl
c
o
mp
i
ler
s
13
.
1
.
5
on Power8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abr
a
h
a
m
Add
t
es
t
s for o
l
d gmx
energy functi
o
nality
commit
|
commitdiff
|
tree
2017-02-17
Mar
k
Abraham
Use gmx::Mutex
a
n
d gmx::lock_guard to fi
x
some issues
commit
|
commitdiff
|
tree
2017-02-15
M
ark Ab
r
aham
Merge
b
r
a
nch r
e
lease-5-1 into release-
2
016
commit
|
commitdiff
|
tree
2017-02-14
Ma
r
k
Abraham
Fix handling of
previous virial
s
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
raham
Reduce co
m
pilation coupling
commit
|
commitdiff
|
tree
2017-02-10
M
a
rk Abra
h
am
Corre
c
ted ou
t
p
u
t of gmx do_dssp -
s
c
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk Abraham
C
o
mplete
t
he removal
o
f
stateful RNG
commit
|
commitdiff
|
tree
2017-02-09
M
ark Ab
r
aha
m
Impro
v
ed
s
tate
_
chan
g
e_natoms
an
d
used it m
o
re
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk A
b
r
a
ham
Remove ES
T
_DIST
R
f
rom state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Enhance war
n
inp
commit
|
commitdiff
|
tree
2017-02-08
Mark
Abraha
m
Exten
d
se
r
i
alizatio
n
to gm
x
_int6
4
_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Remove d
o
c
s
for unim
p
lemented
t
rjco
n
v -clustercenter
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Ab
r
a
h
am
Create
a
pp
l
ied-forc
e
s
module group
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k A
b
raham
Give MDModul
e
s responsibility for option handling
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abr
a
ham
Merge branch rel
e
a
se
-
2016
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
braham
Bumped v
e
rsion to
p
r
epare for next patch release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
am
Intr
o
duced s
y
stem prepara
t
ion sect
i
on to user gu
i
de
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
ah
a
m
Versio
n
2
0
16
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mar
k
Abraha
m
M
e
rge
b
ranch
r
elease-5-1
i
nto release-20
1
6
commit
|
commitdiff
|
tree
2017-02-03
Mark Abr
a
ha
m
Remove typ
e
def st
r
uct
i
n som
e
mdtypes file
s
commit
|
commitdiff
|
tree
2017-02-02
Mar
k
Ab
r
aham
C
l
a
rify use of tau-p and p
c
o
upltype
commit
|
commitdiff
|
tree
2017-01-31
M
a
rk Abraham
M
erge
b
r
an
c
h relea
s
e-
5
-1 into
release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mar
k
Abraham
Fix
m
ulti-d
o
main r
e
runs
commit
|
commitdiff
|
tree
2017-01-30
Mark A
b
r
a
ha
m
Don't
p
rint invalid per
f
orma
n
ce
data
commit
|
commitdiff
|
tree
2017-01-23
M
ar
k
A
b
raham
Sto
p
pe
d
header fil
e
s
in
c
luding state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abr
a
h
am
Fixed
g
m
x
r
msf
-
q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
R
e
moved ini
t
_state
commit
|
commitdiff
|
tree
2017-01-20
Mar
k
A
b
raha
m
Initial
i
ze GMX_*
_
LIBRARIES
c
make
variables earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
Merge bra
n
c
h r
e
lease-20
1
6
commit
|
commitdiff
|
tree
2017-01-06
Mark Abrah
a
m
Do
c
ument ISerializer
c
l
a
ss
commit
|
commitdiff
|
tree
2017-01-04
Mark A
b
r
aham
Stop trying
t
o
u
se objdump --r
e
loc
on Mac
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k Abrah
a
m
Fix d
o
cument
a
ti
o
n
of OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark
A
braha
m
Merge branch release-5-
1
in
t
o
r
e
lease-201
6
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abraham
Corre
c
t
e
d documentation
about eigenv
a
l
u
e handling
commit
|
commitdiff
|
tree
2016-12-20
Mark A
b
r
a
ham
Improve
b
uild syst
e
m fo
r
p
l
ugin support
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
San
i
ti
z
e some include header
s
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
braham
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-12-15
Mar
k
Abrah
a
m
Removed suppo
r
t
for multip
l
e
e
n
tries in mdp fil
e
s
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
H
an
d
le warninp correctly in xp
m
2ps an
d
membe
d
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix m
i
sleading parallelization docs for gmx
w
h
am
commit
|
commitdiff
|
tree
2016-12-09
Mark
Abraham
F
i
x logic of
TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abr
a
ham
Rem
o
ve
nxframe
f
rom t_trxsta
t
us
commit
|
commitdiff
|
tree
2016-12-08
Mark Abraham
Con
s
olidate files sup
p
orting TNG
f
ile I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
M
erge b
r
an
c
h relea
s
e-2
0
16
commit
|
commitdiff
|
tree
2016-12-07
Ma
r
k Abrah
a
m
Fix m
e
mo
r
y
handling in gm
x
dump o
f
TN
G
files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraham
R
e
move un
d
ue
narrowin
g
of integer
i
n
TN
G
reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Add
I
NSTALL-dev
to aid
pe
o
ple do
i
ng unusual builds
commit
|
commitdiff
|
tree
2016-12-01
Mark A
b
raham
Fix minor trjconv bug
commit
|
commitdiff
|
tree
2016-11-23
Mark
Abra
h
am
Stop including tng_io
_
fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
braham
Enhanced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Crea
t
ed
p
ad
d
edve
c
tor
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Remove unimplemented
gmx trjc
a
t
-vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Merge bra
n
ch rele
a
se-2016
commit
|
commitdiff
|
tree
2016-10-31
M
a
r
k
Abra
h
am
Me
r
ge branch rele
a
se-
2
0
1
6
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Bu
m
ped version to pr
e
p
a
r
e for nex
t
p
atch release
commit
|
commitdiff
|
tree
2016-10-28
Mar
k
Abr
a
ham
Version
2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
M
a
rk
Abraham
Update install gui
d
e
commit
|
commitdiff
|
tree
2016-10-21
Mar
k
Abraham
Update c
p
pc
h
eck supp
o
rt to 1
.
76
.
1
commit
|
commitdiff
|
tree
next