From 86ad99a753455b8a267acc4638ff8fcc6c2b1e30 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 13 Apr 2023 19:36:39 +0200 Subject: [PATCH 1/4] Fix qp_extract_cipsi_data.py --- scripts/qp_extract_cipsi_data.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/scripts/qp_extract_cipsi_data.py b/scripts/qp_extract_cipsi_data.py index 8f0b1f3c..dd8e9c4d 100755 --- a/scripts/qp_extract_cipsi_data.py +++ b/scripts/qp_extract_cipsi_data.py @@ -23,6 +23,9 @@ def extract_data(output): reading = False for iline, line in enumerate(lines): + if line.startswith("Summary at N_det"): + reading = False + if not reading and line.startswith(" N_det "): n_det = int(re.search(r"N_det\s+=\s+(\d+)", line).group(1)) reading = True From 9c2fee6e1c69f47a1130d88fcdf470d849b92cc8 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 14 Apr 2023 12:33:29 +0200 Subject: [PATCH 2/4] Improve extract_data --- scripts/qp_extract_cipsi_data.py | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/scripts/qp_extract_cipsi_data.py b/scripts/qp_extract_cipsi_data.py index dd8e9c4d..70935d73 100755 --- a/scripts/qp_extract_cipsi_data.py +++ b/scripts/qp_extract_cipsi_data.py @@ -43,8 +43,8 @@ def extract_data(output): e_ex_line = lines[iline+2] e_ex = float(e_ex_line.split()[1]) reading = False - - data.append((n_det, e, pt2, err_pt2, rpt2, err_rpt2, e_ex)) + new_data = " {:8d} {:16.8f} {:e} {:e} {:e} {:e} {:16.8f}".format(n_det, e, pt2, err_pt2, rpt2, err_rpt2, e_ex) + data.append(new_data) n_det = e = pt2 = err_pt2 = rpt2 = err_rpt2 = e_ex = None return data @@ -52,6 +52,4 @@ def extract_data(output): data = extract_data(output) for item in data: - print(" ".join(str(x) for x in item)) - - + print(item) From 44d867297423cf33736340b111dc28f6f114a5dc Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 17 Apr 2023 16:24:07 +0200 Subject: [PATCH 3/4] OMP Critial around format_w_error --- src/utils/format_w_error.irp.f | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/src/utils/format_w_error.irp.f b/src/utils/format_w_error.irp.f index 1378d367..ce2665a7 100644 --- a/src/utils/format_w_error.irp.f +++ b/src/utils/format_w_error.irp.f @@ -1,7 +1,7 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_error) implicit none - + BEGIN_DOC ! Format for double precision, value(error) END_DOC @@ -14,7 +14,7 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err ! out ! | format_value | character | string FX.Y for the format | - ! | str_error | character | string of the error | + ! | str_error | character | string of the error | ! internal ! | str_size | character | size in string format | @@ -33,6 +33,7 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err character(len=20) :: str_size, str_nb_digits, str_exp integer :: nb_digits + !$OMP CRITICAL ! max_nb_digit: Y max ! size_nb = Size of the double: X (FX.Y) write(str_size,'(I3)') size_nb @@ -40,17 +41,17 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err ! Error write(str_exp,'(1pE20.0)') error str_error = trim(adjustl(str_exp)) - + ! Number of digit: Y (FX.Y) from the exponent str_nb_digits = str_exp(19:20) read(str_nb_digits,*) nb_digits - + ! If the error is 0d0 - if (error <= 1d-16) then + if (error <= 1d-16) then write(str_nb_digits,*) max_nb_digits endif - ! If the error is too small + ! If the error is too small if (nb_digits > max_nb_digits) then write(str_nb_digits,*) max_nb_digits str_error(1:1) = '0' @@ -65,7 +66,8 @@ subroutine format_w_error(value,error,size_nb,max_nb_digits,format_value,str_err ! FX.Y,A1,A1,A1 for value(str_error) !string = 'F'//trim(adjustl(str_size))//'.'//trim(adjustl(str_nb_digits))//',A1,A1,A1' - ! FX.Y just for the value + ! FX.Y just for the value format_value = 'F'//trim(adjustl(str_size))//'.'//trim(adjustl(str_nb_digits)) + !$OMP END CRITICAL end From 750ec9ca00559eced5f08ece573bd583f5aa8c2b Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 19 Apr 2023 09:31:36 +0200 Subject: [PATCH 4/4] Fix f77zmq --- configure | 2 +- external/qp2-dependencies | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/configure b/configure index 5b50d0d7..d3377093 100755 --- a/configure +++ b/configure @@ -232,7 +232,7 @@ EOF execute << EOF cd "\${QP_ROOT}"/external - tar --gunzip --extract --file qp2-dependencies/f77-zmq-4.3.2.tar.gz + tar --gunzip --extract --file qp2-dependencies/f77-zmq-4.3.?.tar.gz cd f77-zmq-* ./configure --prefix=\$QP_ROOT export ZMQ_H="\$QP_ROOT"/include/zmq.h diff --git a/external/qp2-dependencies b/external/qp2-dependencies index ce14f57b..fd43778e 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit ce14f57b50511825a9fedb096749200779d3f4d4 +Subproject commit fd43778e12bb5858c4c780c34346be0f158b8cc7