From 01f741700f4fce62c293525350f0ad3fedc15d99 Mon Sep 17 00:00:00 2001
From: Marcin Kirsz <mkirsz@ed.ac.uk>
Date: Wed, 25 Sep 2024 12:27:30 +0100
Subject: [PATCH] added modules to ignore. Cleanup in cli
---
.gitignore | 4 ++++
bin/tadah_cli.cpp | 41 +++++++++++++++++++++--------------------
2 files changed, 25 insertions(+), 20 deletions(-)
diff --git a/.gitignore b/.gitignore
index c0f378a..b0b28d3 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,3 +1,7 @@
build
*.swp
.cache
+CORE
+LIBS
+MLIP
+MODELS
diff --git a/bin/tadah_cli.cpp b/bin/tadah_cli.cpp
index 3914fb4..98c56e0 100644
--- a/bin/tadah_cli.cpp
+++ b/bin/tadah_cli.cpp
@@ -196,17 +196,12 @@ void TadahCLI::subcommand_train() {
blacs_get_(&izero,&izero, &context2 ); // -> Create context2
blacs_gridinit_(&context2, &layout, &b_nrows2, &b_ncols2 ); // context1 -> Initialize the grid
blacs_gridinfo_(&context2, &b_nrows2, &b_ncols2, &b_row2, &b_col2 );
- // printf( "context= %d, rank = %d, nprow = %d, npcol = %d, myrow = %d, mycol = %d\n", context1, rank, b_nrows1, b_ncols1, b_row1, b_col1 );
- // printf( "context= %d, rank = %d, nprow = %d, npcol = %d, myrow = %d, mycol = %d\n", context2, rank, b_nrows2, b_ncols2, b_row2, b_col2 );
// Compute the size of the local phi matrices
- // int PHI_size = PHI_rows*PHI_cols;
int phi_rows1 = numroc_( &PHI_rows, &rnb1, &b_row1, &izero, &b_nrows1 );
int phi_cols1 = numroc_( &PHI_cols, &cnb1, &b_col1, &izero, &b_ncols1 );
int phi_rows2 = numroc_( &PHI_rows, &rnb2, &b_row2, &izero, &b_nrows2 );
int phi_cols2 = numroc_( &PHI_cols, &cnb2, &b_col2, &izero, &b_ncols2 );
- // std::cout << "BRANK: " << b_rank << " phi_rows1: " << phi_rows1 << " phi_col1 " << phi_cols1 << std::endl;
- // std::cout << "BRANK: " << b_rank << " phi_rows2: " << phi_rows2 << " phi_col2 " << phi_cols2 << std::endl;
// Define MPI datatype to send rows from the PHI matrix with column-major order
// used only in context1
@@ -528,13 +523,9 @@ void TadahCLI::subcommand_train() {
if (rows_available==0) std::cout << "+++++++ WORKER IS FULL++++++++ " << b_rank << " ROWS AVAILABLE: " << rows_available << std::endl;
}
- std::cout << "RANK" << rank << " HOST-WORKER EXIT SUCCESS" << std::endl;
// END HOST-WORKER
-
// All phi matrices are computed by this point
- std::cout << "rank: " << rank << " ::: " << 54.0*dm.T << std::endl;
-
// Descriptors for scalaPACK
int descPHI[9], descPHI2[9];
int descB[9], descB2[9];
@@ -564,10 +555,10 @@ void TadahCLI::subcommand_train() {
char trans='N';
int nrhs = 1;
double *b = dm.T.ptr();
- std::cout << "BEFORE: ---b vec: rank: " << b_rank << " ";
- for (int i=0;i<phi_rows1;++i) std::cout << b[i] << " ";
- std::cout << std::endl;
- std::cout << std::endl;
+ //std::cout << "BEFORE: ---b vec: rank: " << b_rank << " ";
+ //for (int i=0;i<phi_rows1;++i) std::cout << b[i] << " ";
+ //std::cout << std::endl;
+ //std::cout << std::endl;
int ia = 1;
int ja = 1;
@@ -580,7 +571,6 @@ void TadahCLI::subcommand_train() {
dm2.T.resize(phi_rows2);
dm2.Tlabels.resize(phi_rows2);
-
pdgemr2d_(&PHI_rows, &PHI_cols, dm.Phi.ptr(), &ione, &ione, descPHI,
dm2.Phi.ptr(), &ione, &ione, descPHI2, &context2);
@@ -590,6 +580,8 @@ void TadahCLI::subcommand_train() {
// make a copy of dm.Phi and dm2.Phi
Matrix Phi_cpy = dm.Phi;
Matrix Phi2_cpy = dm2.Phi;
+ t_type T = dm.T;
+ t_type T2 = dm2.T;
double *b2 = dm2.T.ptr();
@@ -614,10 +606,10 @@ void TadahCLI::subcommand_train() {
double *work = new double[lwork];
pdgels_(&trans, &PHI_rows, &PHI_cols, &nrhs, dm.Phi.ptr(), &ia, &ja, descPHI, b, &ib, &jb, descB, work, &lwork, &info);
- std::cout << "---b vec: rank: " << b_rank << " ";
- for (int i=0;i<phi_rows1;++i) std::cout << b[i] << " ";
- std::cout << std::endl;
- std::cout << std::endl;
+ //std::cout << "---b vec: rank: " << b_rank << " ";
+ //for (int i=0;i<phi_rows1;++i) std::cout << b[i] << " ";
+ //std::cout << std::endl;
+ //std::cout << std::endl;
double *work2 = new double[lwork2];
pdgels_(&trans, &PHI_rows, &PHI_cols, &nrhs, dm2.Phi.ptr(), &ia, &ja, descPHI2, b2, &ib, &jb, descB2, work2, &lwork2, &info2);
@@ -634,7 +626,7 @@ void TadahCLI::subcommand_train() {
pdgemv_(&trans, &PHI_rows, &PHI_cols, &alpha, Phi_cpy.ptr(), &ia, &ja, descPHI, b, &ia, &ja,
descB, &ione, &beta, y, &ia, &ja, descY, &ione);
std::cout << "---y vec: rank: " << b_rank << " ::: ";
- for (int i=0;i<phi_rows1;++i) std::cout << y[i] << " ";
+ for (int i=0;i<phi_rows1;++i) std::cout << y[i] << " " << T[i] << " " << y[i]-T[i] << std::endl;
std::cout << std::endl;
delete[] y;
pdgemv_(&trans, &PHI_rows, &PHI_cols, &alpha, Phi2_cpy.ptr(), &ia, &ja, descPHI2, b2, &ia, &ja,
@@ -642,10 +634,19 @@ void TadahCLI::subcommand_train() {
if (b_rank%b_ncols2==0) {
std::cout << "---y2 vec: rank: " << b_rank << " ::: ";
- for (int i=0;i<phi_rows2;++i) std::cout << y2[i] << " ";
+ for (int i=0;i<phi_rows2;++i) std::cout << y2[i] << " " << T2[i] << " "<< y2[i]-T2[i] << std::endl;
std::cout << std::endl;
}
delete[] y2;
+
+ // Create thid context
+ int context3;
+ int b_row3, b_col3;
+ blacs_get_(&izero,&izero, &context3 ); // -> Create context2
+ blacs_gridinit_(&context3, &layout, &ncpu, &ione ); // context1 -> Initialize the grid
+ blacs_gridinfo_(&context3, &ncpu, &ione, &b_row3, &b_col3 );
+ // do work on context3
+ blacs_gridexit_(&context3);
delete[] work;
delete[] work2;
--
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