This example describes step by step procedure that was executed in order to install the W-SLDA Toolkit on Eagle (PCCS) system.

• Step 1: Cloning the toolkit
• Step 2: Compiling supporting libraries and tools
• Step 3: Compiling ELPA
• Step 4: Setting templates for st codes
• Step 5: Setting templates for td codes

Step 1: Cloning the toolkit

git clone https://gitlab.fizyka.pw.edu.pl/wtools/wslda.git

Step 2: Compiling supporting libraries and tools

# On Eagle system compilation can be executed only via interactive session
srun --pty -n 1 /bin/bash

# go to W-SLDA folder
gabrielw@e1135:~/grant_518/project_data/wslda$ ./install-libs.sh 
Installing libs...
# Making lib/wderiv..
make: Entering directory `/mnt/storage_2/project_data/grant_518/cold-atoms/lib/wderiv'
gcc -std=c99 -O3 ./c-examples/simple-1d.c -o ./c-examples/simple-1d -I./c/ -L. -lwderiv -lfftw3 -lm 
gcc -std=c99 -std=c99 ./c/test-wderiv.c -o ./c/test-wderiv -I./c/ -L. -lwderiv -lfftw3 -lm 
gcc -std=c99 -std=c99 ./c/test-wderiv1D.c -o ./c/test-wderiv1D -I./c/ -L. -lwderiv -lfftw3 -lm 
gcc -std=c99 -std=c99 ./c/test-wderiv2D.c -o ./c/test-wderiv2D -I./c/ -L. -lwderiv -lfftw3 -lm
make: Leaving directory `/mnt/storage_2/project_data/grant_518/cold-atoms/lib/wderiv'
# Making lib/winterp..
make: Entering directory `/mnt/storage_2/project_data/grant_518/cold-atoms/lib/winterp'
gcc -std=c99 -O3 ./c-examples/lattice2d-simple.c -o ./c-examples/lattice2d-simple -I./c/ -L. -lwinterp -lfftw3 -lm
gcc -std=c99 -O3 ./c-examples/interp1d_simple.c -o ./c-examples/interp1d_simple -I./c/ -L. -lwinterp -lfftw3 -lm
gcc -std=c99 -O3 ./c-examples/interp2d_simple.c -o ./c-examples/interp2d_simple -I./c/ -L. -lwinterp -lfftw3 -lm
gcc -std=c99 -O3 ./c-examples/interp3d_simple.c -o ./c-examples/interp3d_simple -I./c/ -L. -lwinterp -lfftw3 -lm
gcc -std=c99 -O3 ./c-examples/section2d_simple.c -o ./c-examples/section2d_simple -I./c/ -L. -lwinterp -lfftw3 -lm
make: Leaving directory `/mnt/storage_2/project_data/grant_518/cold-atoms/lib/winterp'
# Making lib/wdata..
make: Entering directory `/mnt/storage_2/project_data/grant_518/cold-atoms/lib/wdata'
gcc -std=gnu99 ./c-examples/example-write.c -o ./c-examples/example-write -I./c/ -L. -lwdata -lm 
gcc -std=gnu99 ./c-examples/example-write-many.c -o ./c-examples/example-write-many -I./c/ -L. -lwdata -lm 
gcc -std=gnu99 ./c-examples/example-write-many-t_varying.c -o ./c-examples/example-write-many-t_varying -I./c/ -L. -lwdata -lm 
gcc -std=gnu99 ./c-examples/example-read.c -o ./c-examples/example-read -I./c/ -L. -lwdata -lm 
gcc -std=gnu99 ./c-examples/example-addvar.c -o ./c-examples/example-addvar -I./c/ -L. -lwdata -lm 
mkdir -p ./bin/
gcc -std=gnu99 ./tools/wdata-cut.c -o ./bin/wdata-cut -I./c/ -L. -lwdata -lm
gcc -std=gnu99 ./tools/wdata-interpolate.c -o ./bin/wdata-interpolate -I./c/ -L. -lwdata -I../winterp/c -L../winterp/ -lwinterp -lfftw3 -lm
gcc -std=gnu99 ./tools/wdata-datadim-up.c -o ./bin/wdata-datadim-up -I./c/ -L. -lwdata -lm
make: Leaving directory `/mnt/storage_2/project_data/grant_518/cold-atoms/lib/wdata'
# Making tools..
make: Entering directory `/mnt/storage_2/project_data/grant_518/cold-atoms/tools'
mkdir -p ./bin
gcc -std=gnu99 -O3 wdata2checkpoint.c -o ./bin/wdata2checkpoint -L. -I../lib/wdata/c -L../lib/wdata/ -lwdata  -lm 
gcc -std=gnu99 -O3 dpca2wdata.c -o ./bin/dpca2wdata -I../hpc-engine/ -I../lib/wdata/c -L../lib/wdata/ -lwdata  -lm 
gcc -std=gnu99 -O3 dpca2wdata-hard.c -o ./bin/dpca2wdata-hard -I../hpc-engine/ -I../lib/wdata/c -L../lib/wdata/ -lwdata  -lm 
mpic++ hdc-3d.cpp -o ./bin/wslda-hdc-3d -I../lib/wdata/c -L../lib/wdata/ -lwdata  -lfftw3 -lm
make: mpic++: Command not found
make: *** [wslda-hdc-3d] Error 127
make: Leaving directory `/mnt/storage_2/project_data/grant_518/cold-atoms/tools'
# ==========================================================================
# =========================== SET ENVIRONMENT ==============================
# ==========================================================================
#  Add to your .bashrc
 
export WSLDA=/home/users/gabrielw/grant_518/project_data/wslda
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/users/gabrielw/grant_518/project_data/wslda/lib/wdata:/home/users/gabrielw/grant_518/project_data/wslda/lib/wderiv:/home/users/gabrielw/grant_518/project_data/wslda/lib/winterp
export PATH=$PATH:/home/users/gabrielw/grant_518/project_data/wslda/lib/wdata/bin:/home/users/gabrielw/grant_518/project_data/wslda/tools/bin

Step 3: Compiling ELPA

See here for instructions

Step 4: Setting templates for st codes

Step 5: Setting templates for td codes