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fleur
fleur
Commits
d6d3c266
Commit
d6d3c266
authored
Dec 20, 2018
by
Matthias Redies
Browse files
include memory information and exempt debugging runs
parent
a289a2ac
Changes
5
Hide whitespace changes
Inline
Side-by-side
cmake/Files_and_Targets.txt
View file @
d6d3c266
...
...
@@ -62,7 +62,7 @@ set(inpgen_F90 ${inpgen_F90} global/constants.f90 io/xsf_io.f90
eigen/orthoglo.F90 juDFT/usage_data.F90 math/ylm4.F90
global/sort.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 inpgen/inpgen_help.f90 io/rw_inp.f90 juDFT/juDFT.F90 global/find_enpara.f90
inpgen/closure.f90 inpgen/inpgen_arguments.F90
juDFT/info.F90 juDFT/stop.F90 juDFT/args.F90 juDFT/time.F90 juDFT/init.F90 juDFT/sysinfo.F90 io/w_inpXML.f90 kpoints/julia.f90 global/utility.F90
juDFT/info.F90 juDFT/stop.F90 juDFT/args.F90 juDFT/time.F90 juDFT/init.F90 juDFT/sysinfo.F90
juDFT/string.f90
io/w_inpXML.f90 kpoints/julia.f90 global/utility.F90
init/compile_descr.F90 kpoints/kpoints.f90 io/xmlOutput.F90 kpoints/brzone2.f90 cdn/slab_dim.f90 cdn/slabgeom.f90 dos/nstm3.f90 cdn/int_21.f90
cdn/int_21lo.f90 cdn_mt/rhomt21.f90 cdn_mt/rhonmt21.f90 force/force_a21.F90 force/force_a21_lo.f90 force/force_a21_U.f90 force/force_a12.f90
eigen/tlmplm_store.F90 kpoints/unfoldBandKPTS.f90)
...
...
cmake/compilerflags.cmake
View file @
d6d3c266
...
...
@@ -12,7 +12,7 @@ if (${CMAKE_Fortran_COMPILER_ID} MATCHES "Intel")
set
(
CMAKE_Fortran_FLAGS
"
${
CMAKE_Fortran_FLAGS
}
-mkl -r8 -qopenmp -assume byterecl"
)
endif
()
set
(
CMAKE_Fortran_FLAGS_RELEASE
"
${
CMAKE_Fortran_FLAGS_RELEASE
}
-xHost -O2 -g"
)
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-C -traceback -O0 -g -ftrapuv -check uninit -check pointers -CB "
)
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-C -traceback -O0 -g -ftrapuv -check uninit -check pointers -CB
-DCPP_DEBUG
"
)
elseif
(
${
CMAKE_Fortran_COMPILER_ID
}
MATCHES
"PGI"
)
message
(
"PGI Fortran detected"
)
set
(
CMAKE_SHARED_LIBRARY_LINK_Fortran_FLAGS
""
)
#fix problem in cmake
...
...
@@ -24,12 +24,12 @@ elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "PGI")
#set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mp -Mr8 -Mr8intrinsics -Mcuda:cuda9.0,cc70 -DUSE_STREAMS -DNUM_STREAMS=${N_STREAMS} -Minfo=accel -acc")
#set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -fast -O3")
set
(
CMAKE_Fortran_FLAGS_RELEASE
"-O1 "
)
# to prevent cmake from putting -fast which auses problems with PGI18.4
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-C -traceback -O0 -g -Mchkstk -Mchkptr -Ktrap=fp"
)
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-C -traceback -O0 -g -Mchkstk -Mchkptr -Ktrap=fp
-DCPP_DEBUG
"
)
elseif
(
${
CMAKE_Fortran_COMPILER_ID
}
MATCHES
"XL"
)
message
(
"IBM/BG Fortran detected"
)
set
(
CMAKE_Fortran_FLAGS
"
${
CMAKE_Fortran_FLAGS
}
-qsmp=omp -qnosave -qarch=qp -qtune=qp -qrealsize=8 -qfixed -qsuppress=1520-022 -qessl"
)
set
(
CMAKE_Fortran_FLAGS_RELEASE
"
${
CMAKE_Fortran_FLAGS_RELEASE
}
-O4 -qsuppress=1500-036"
)
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-O0 -g"
)
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-O0 -g
-DCPP_DEBUG
"
)
set
(
CMAKE_C_FLAGS
"
${
CMAKE_C_FLAGS
}
-I/bgsys/local/libxml2/include/libxml2"
)
set
(
FLEUR_DEFINITIONS
${
FLEUR_DEFINITIONS
}
"CPP_AIX"
)
set
(
FLEUR_MPI_DEFINITIONS
${
FLEUR_MPI_DEFINITIONS
}
"CPP_AIX"
)
...
...
@@ -40,5 +40,5 @@ elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "GNU")
endif
()
set
(
CMAKE_Fortran_FLAGS
"
${
CMAKE_Fortran_FLAGS
}
-ffree-line-length-none -fopenmp -fdefault-real-8 "
)
set
(
CMAKE_Fortran_FLAGS_RELEASE
"
${
CMAKE_Fortran_FLAGS_RELEASE
}
-O1"
)
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-fdump-core -Wall -Wextra -Warray-temporaries -fbacktrace -fcheck=all -finit-real=nan -O0 -g"
)
set
(
CMAKE_Fortran_FLAGS_DEBUG
"
${
CMAKE_Fortran_FLAGS_DEBUG
}
-fdump-core -Wall -Wextra -Warray-temporaries -fbacktrace -fcheck=all -finit-real=nan -O0 -g
-DCPP_DEBUG
"
)
endif
()
juDFT/CMakeLists.txt
View file @
d6d3c266
...
...
@@ -17,6 +17,7 @@ juDFT/info.F90
juDFT/init.F90
juDFT/juDFT.F90
juDFT/stop.F90
juDFT/string.f90
juDFT/time.F90
juDFT/args.F90
juDFT/sysinfo.F90
...
...
juDFT/string.f90
0 → 100644
View file @
d6d3c266
module
m_juDFT_string
implicit
none
character
(
len
=
3
),
parameter
::
whitespaces
=
" "
//
achar
(
9
)
//
achar
(
13
)
! list of all whitespaces
contains
function
strip
(
input
)
result
(
output
)
implicit
none
character
(
len
=*
),
intent
(
in
)
::
input
character
(:),
allocatable
::
output
integer
::
front
,
back
front
=
1
do
while
(
index
(
whitespaces
,
input
(
front
:
front
))
/
=
0
)
front
=
front
+
1
enddo
back
=
len
(
input
)
do
while
(
index
(
whitespaces
,
input
(
back
:
back
))
/
=
0
)
back
=
back
-
1
enddo
output
=
input
(
front
:
back
)
end
function
strip
end
module
m_juDFT_string
juDFT/usage_data.F90
View file @
d6d3c266
...
...
@@ -7,7 +7,7 @@ MODULE m_judft_usage
IMPLICIT
NONE
PRIVATE
CHARACTER
(
LEN
=
99
),
PARAMETER
::
URL_STRING
=
"www.flapw.de/collect.pl"
INTEGER
,
PARAMETER
::
MAX_NO_KEYS
=
2
0
INTEGER
,
PARAMETER
::
MAX_NO_KEYS
=
4
0
CHARACTER
(
LEN
=
200
)
::
keys
(
MAX_NO_KEYS
)
CHARACTER
(
LEN
=
200
)
::
values
(
MAX_NO_KEYS
)
INTEGER
::
no_keys
=
0
...
...
@@ -66,9 +66,10 @@ CONTAINS
END
SUBROUTINE
add_usage_data_l
SUBROUTINE
send_usage_data
()
use
m_juDFT_args
IMPLICIT
NONE
INTEGER
::
i
,
ierr
,
pid
,
dt
(
8
)
CHARACTER
(
len
=
200
)
::
model
,
modelname
CHARACTER
(
len
=
200
)
::
model
,
modelname
,
VmPeak
,
VmSize
,
VmData
,
VmStk
,
VmExe
,
VmSwap
INTEGER
(
8
)
::
r
#ifdef CPP_MPI
INCLUDE
'mpif.h'
...
...
@@ -79,10 +80,21 @@ CONTAINS
!#ifdef CPP_ALLOW_USAGE_DATA
r
=
random_id
()
!add cpuinfos
call
get_cpuinfo
(
model
,
modelname
)
call
add_usage_data
(
"cpu_model"
,
model
)
call
add_usage_data
(
"cpu_modelname"
,
modelname
)
!add meminfos
call
get_meminfo
(
VmPeak
,
VmSize
,
VmData
,
VmStk
,
VmExe
,
VmSwap
)
call
add_usage_data
(
"VmPeak"
,
VmPeak
)
call
add_usage_data
(
"VmSize"
,
VmSize
)
call
add_usage_data
(
"VmData"
,
VmData
)
call
add_usage_data
(
"VmStk"
,
VmStk
)
call
add_usage_data
(
"VmExe"
,
VmExe
)
call
add_usage_data
(
"VmSwap"
,
VmSwap
)
!First write a json file
OPEN
(
unit
=
961
,
file
=
"usage.json"
,
status
=
'replace'
)
WRITE
(
961
,
*
)
'{'
...
...
@@ -96,17 +108,18 @@ CONTAINS
WRITE
(
961
,
*
)
'}'
CLOSE
(
961
)
#ifdef CPP_CURL
IF
(
judft_was_argument
(
"-no_send"
))
THEN
PRINT
*
,
"As requested by command line option usage data was not send, please send usage.json manually"
ELSE
#ifdef CPP_DEBUG
WRITE
(
*
,
*
)
"usage.json not send, because this is a debugging run."
#else
!Send using curl
CALL
system
(
'curl -H "Content-Type: application/json" --data @usage.json '
\\
URL_STRING
)
!CALL system('curl -H "Content-Type: application/json" --data @usage.json '\\URL_STRING)
WRITE
(
*
,
*
)
"CURL call not yet implemented"
PRINT
*
,
"Usage data send using curl: usage.json"
ENDIF
#else
PRINT
*
,
'curl not found in compilation. Please send usage.json manually'
#endif
ENDIF
!#else
! PRINT *,"No usage data collected"
!#endif
...
...
@@ -177,25 +190,36 @@ CONTAINS
if
(
openstatus
==
0
)
close
(
77
)
END
SUBROUTINE
get_cpuinfo
!SUBROUTINE get_meminfo(VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap)
!implicit none
!character(len=200), intent(out) :: VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap
!character(len=1000) :: line
!integer :: stat
SUBROUTINE
get_meminfo
(
VmPeak
,
VmSize
,
VmData
,
VmStk
,
VmExe
,
VmSwap
)
use
m_juDFT_string
implicit
none
character
(
len
=
200
),
intent
(
out
)
::
VmPeak
,
VmSize
,
VmData
,
VmStk
,
VmExe
,
VmSwap
character
(
len
=
1000
)
::
line
integer
::
openstat
,
readstat
!VmPeak = ""
!VmSize = ""
!VmData = ""
!VmStk = ""
!VmExe = ""
!VmSwap = ""
!open(unit=77, file="/proc/cpuinfo", iostat=stat)
!do while(stat == 0)
!enddo
!END SUBROUTINE
VmPeak
=
""
VmSize
=
""
VmData
=
""
VmStk
=
""
VmExe
=
""
VmSwap
=
""
readstat
=
0
open
(
unit
=
77
,
file
=
"/proc/self/status"
,
iostat
=
openstat
)
do
while
(
readstat
==
0
)
read
(
77
,
'(A)'
,
iostat
=
readstat
)
line
if
(
index
(
line
,
"VmPeak"
)
/
=
0
)
VmPeak
=
strip
(
line
(
index
(
line
,
":"
)
+1
:
index
(
line
,
"kB"
,
back
=
.True.
)
-1
))
if
(
index
(
line
,
"VmSize"
)
/
=
0
)
VmSize
=
strip
(
line
(
index
(
line
,
":"
)
+1
:
index
(
line
,
"kB"
,
back
=
.True.
)
-1
))
if
(
index
(
line
,
"VmData"
)
/
=
0
)
VmData
=
strip
(
line
(
index
(
line
,
":"
)
+1
:
index
(
line
,
"kB"
,
back
=
.True.
)
-1
))
if
(
index
(
line
,
"VmStk"
)
/
=
0
)
VmStk
=
strip
(
line
(
index
(
line
,
":"
)
+1
:
index
(
line
,
"kB"
,
back
=
.True.
)
-1
))
if
(
index
(
line
,
"VmExe"
)
/
=
0
)
VmExe
=
strip
(
line
(
index
(
line
,
":"
)
+1
:
index
(
line
,
"kB"
,
back
=
.True.
)
-1
))
if
(
index
(
line
,
"VmSwap"
)
/
=
0
)
VmSwap
=
strip
(
line
(
index
(
line
,
":"
)
+1
:
index
(
line
,
"kB"
,
back
=
.True.
)
-1
))
enddo
if
(
openstat
==
0
)
close
(
77
)
END
SUBROUTINE
END
MODULE
m_judft_usage
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