Updated theta instructions

doc/installations/theta.rst

@@ -20,19 +20,15 @@ WEST executables can be compiled using the following script:
    $ cat build_west.sh
    #!/bin/bash
 
-   module load miniconda-3.6/conda-4.5.12
-
-   export BLAS_LIBS="-L$MKLROOT/intel64/lib -Wl,--start-group -lmkl_intel_lp64 -lmkl_core -lmkl_intel_thread -Wl,--end-group"
-   export SCALAPACK_LIBS="-L$MKLROOT/intel64/lib -Wl,--start-group -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 -lmkl_core -lmkl_intel_thread -Wl,--end-group"
-   export FFT_LIBS=""
-   export MPIF90="ftn -g -mkl -dynamic"
-   export CC="cc -g -mkl -dynamic"
-   export F77="ftn -g -mkl -dynamic"
-   export FFLAGS="-xMIC-AVX512 -align array64byte -fp-model fast=2 -no-prec-div -assume byterecl -dynamic"
-   
-   export CRAYPE_LINK_TYPE=dynamic
+   module unload cray-libsci
+   module load cray-python/3.6.5.3
 
-   ./install/configure --host=x86_64-build-linux-gnu --build=x86_64-target-linux-gnu --enable-parallel --with-scalapack --enable-openmp LD_LIBS="`python3-config --ldflags`"
+   export CRAYPE_LINK_TYPE=dynamic
+   export LD_LIBRARY_PATH=/opt/python/3.6.5.3/lib:$LD_LIBRARY_PATH
+   export LD_LIBRARY_PATH=$MKLROOT/lib/intel64:$LD_LIBRARY_PATH
+   export LD_LIBRARY_PATH=/opt/intel/compilers_and_libraries_2018.0.128/linux/compiler/lib/intel64:$LD_LIBRARY_PATH
+   
+   ./configure MPIF90=ftn CC=cc --enable-openmp --with-scalapack=intel LD_LIBS="`python3-config --ldflags`" SCALAPACK_LIBS="${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_intel_thread.a ${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group"
 
    make pw -j 16
 
@@ -55,7 +51,15 @@ The following is an example executable script `run_west.sh` to run the `wstat.x`
    $ cat run_west.sh
    #!/bin/bash
    #COBALT -n 2 -t 10 -q debug-cache-quad -A <project_name> -O WEST
-   module load miniconda-3.6/conda-4.5.12 
+
+   module unload cray-libsci
+   module load cray-python/3.6.5.3
+
+   export CRAYPE_LINK_TYPE=dynamic
+   export LD_LIBRARY_PATH=/opt/python/3.6.5.3/lib:$LD_LIBRARY_PATH
+   export LD_LIBRARY_PATH=$MKLROOT/lib/intel64:$LD_LIBRARY_PATH
+   export LD_LIBRARY_PATH=/opt/intel/compilers_and_libraries_2018.0.128/linux/compiler/lib/intel64:$LD_LIBRARY_PATH
+
    aprun -n 128 -N 64 -d 1 --cc depth -e OMP_NUM_THREADS=1 -j 1 ./wstat.x -i wstat.in > wstat.out
 
 Make the script executable: