From d419d933d1ff5ded5d470d8172e922256fa1e88c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jean-S=C3=A9bastien?= Date: Thu, 9 Dec 2021 14:03:34 +0100 Subject: [PATCH] Tweak `LiebLin_Catalogue_Fixed_c_k_Nscaling` --- .../LiebLin_Catalogue_Fixed_c_k_Nscaling.cc | 22 +++++++++++-------- src/SCAN/General_Scan.cc | 12 +++++----- 2 files changed, 19 insertions(+), 15 deletions(-) diff --git a/src/EXECS/LiebLin_Catalogue_Fixed_c_k_Nscaling.cc b/src/EXECS/LiebLin_Catalogue_Fixed_c_k_Nscaling.cc index cb5550b..d0701a1 100644 --- a/src/EXECS/LiebLin_Catalogue_Fixed_c_k_Nscaling.cc +++ b/src/EXECS/LiebLin_Catalogue_Fixed_c_k_Nscaling.cc @@ -22,7 +22,7 @@ using namespace ABACUS; int main(int argc, char* argv[]) { - if (argc != 7) { // provide some info + if (argc != 8) { // provide some info cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl; cout << endl << "Usage of LiebLin_Catalogue_Fixed_c_k_Nscaling executable: " << endl; @@ -30,10 +30,11 @@ int main(int argc, char* argv[]) cout << "char whichDSF \t\t Which structure factor should be calculated ? Options are: " "d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl; cout << "DP c_int \t\t Value of the interaction parameter: use positive real values only" << endl; - cout << "int kfact \t\t momentum factor: momemntum will be set to kfact * kF/4" << endl; + cout << "int kfact \t\t momentum factor: momemntum will be set to kfact * kF/16" << endl; cout << "DP kBT \t\t Temperature (positive only of course)" << endl; cout << "DP target_sumrule \t sumrule saturation you're satisfied with" << endl; - cout << "int Max_Secs \t\t Allowed computational time" << endl; + cout << "int Hrs \t\t Allowed computational time (hours)" << endl; + cout << "int Mns \t\t Allowed computational time (minutes)" << endl; } else { // correct nr of arguments @@ -43,7 +44,7 @@ int main(int argc, char* argv[]) int kfact = atoi(argv[ia++]); DP kBT = atof(argv[ia++]); DP target_sumrule = atof(argv[ia++]); - int Max_Secs = atoi(argv[ia++]); + int Max_Secs = 3600*atoi(argv[ia++]) + 60*atoi(argv[ia++]); double StartTime = omp_get_wtime(); @@ -53,17 +54,20 @@ int main(int argc, char* argv[]) int iN = 0; - int nN = 12; + int nN = 16; Vect Nv(nN); - Nv[0] = 160; Nv[1] = 192; Nv[2] = 224; Nv[3] = 256; - Nv[4] = 320; Nv[5] = 384; Nv[6] = 448; Nv[7] = 512; - Nv[8] = 640; Nv[9] = 768; Nv[10] = 896; Nv[11] = 1024; + // Multiples of 32 up to 256 + for (int i = 1; i <= 8; ++i) Nv[i-1] = 32*i; + // Then steps of 64 up to 512 + for (int i = 1; i <= 4; ++i) Nv[7+i] = 256 + 64*i; + // Then steps of 128 up to 1024 + for (int i = 1; i <= 4; ++i) Nv[11+i] = 512 + 128*i; for (int iN = 0; iN < nN; ++iN) { int N = Nv[iN]; DP L = N; - int iKmin = (kfact * N)/8; + int iKmin = (kfact * N)/32; int iKmax = iKmin; DP srsat = 0.0; bool refine = false; diff --git a/src/SCAN/General_Scan.cc b/src/SCAN/General_Scan.cc index 446b4c9..b004288 100644 --- a/src/SCAN/General_Scan.cc +++ b/src/SCAN/General_Scan.cc @@ -650,12 +650,12 @@ namespace ABACUS { } // Uncomment line below if .stat file is desired: - STAT_outfile << setw(20) << label_here << "\t" << setw(5) << type_required - << "\t" << setw(16) << std::scientific - << exp(-paused_thread_data.logscale * il_to_do) - << "\t" << setw(20) << ScanState.label << "\t" << setw(16) << data_value - << "\t" << setw(16) << std::fixed << setprecision(8) - << data_value/exp(-paused_thread_data.logscale * il_to_do) << endl; + // STAT_outfile << setw(20) << label_here << "\t" << setw(5) << type_required + // << "\t" << setw(16) << std::scientific + // << exp(-paused_thread_data.logscale * il_to_do) + // << "\t" << setw(20) << ScanState.label << "\t" << setw(16) << data_value + // << "\t" << setw(16) << std::fixed << setprecision(8) + // << data_value/exp(-paused_thread_data.logscale * il_to_do) << endl; } // if (ScanState.conv) else {