diff --git a/tools/docker/scripts/test_aiida.sh b/tools/docker/scripts/test_aiida.sh index caf5d0103a..d4825b0c44 100755 --- a/tools/docker/scripts/test_aiida.sh +++ b/tools/docker/scripts/test_aiida.sh @@ -61,7 +61,7 @@ service postgresql start cat > /usr/bin/cp2k << EndOfMessage #!/bin/bash -e export OMP_NUM_THREADS=2 -/opt/cp2k/exe/local/cp2k.ssmp "\$@" +/opt/cp2k/build/bin/cp2k.ssmp "\$@" EndOfMessage chmod +x /usr/bin/cp2k diff --git a/tools/docker/scripts/test_ase.sh b/tools/docker/scripts/test_ase.sh index c8bc7c9181..fde48b6520 100755 --- a/tools/docker/scripts/test_ase.sh +++ b/tools/docker/scripts/test_ase.sh @@ -12,7 +12,7 @@ ln -s ../../data ./share/cp2k/data cat > /usr/bin/cp2k_shell << EndOfMessage #!/bin/bash -e export OMP_NUM_THREADS=1 -/opt/cp2k/exe/local/cp2k.ssmp --shell "\$@" +/opt/cp2k/build/bin/cp2k.ssmp --shell "\$@" EndOfMessage chmod +x /usr/bin/cp2k_shell @@ -21,7 +21,7 @@ chmod +x /usr/bin/cp2k_shell cat > /usr/bin/cp2k << EndOfMessage #!/bin/bash -e export OMP_NUM_THREADS=1 -/opt/cp2k/exe/local/cp2k.ssmp "\$@" +/opt/cp2k/build/bin/cp2k.ssmp "\$@" EndOfMessage chmod +x /usr/bin/cp2k diff --git a/tools/docker/scripts/test_i-pi.sh b/tools/docker/scripts/test_i-pi.sh index 5952f30644..3783ef1df3 100755 --- a/tools/docker/scripts/test_i-pi.sh +++ b/tools/docker/scripts/test_i-pi.sh @@ -39,7 +39,7 @@ ulimit -t ${TIMEOUT_SEC} # Limit cpu time. cd run_1 echo 42 > cp2k_exit_code sleep 10 # give i-pi some time to startup - OMP_NUM_THREADS=2 /opt/cp2k/exe/local/cp2k.ssmp ../in.cp2k + OMP_NUM_THREADS=2 /opt/cp2k/build/bin/cp2k.ssmp ../in.cp2k echo $? > cp2k_exit_code ) & @@ -79,14 +79,14 @@ export OMP_NUM_THREADS=2 cd run_client echo 42 > cp2k_client_exit_code sleep 10 # give server some time to startup - /opt/cp2k/exe/local/cp2k.ssmp /opt/cp2k/tests/i-PI/ipi_client.inp + /opt/cp2k/build/bin/cp2k.ssmp /opt/cp2k/tests/i-PI/ipi_client.inp echo $? > cp2k_client_exit_code ) & # launch cp2k in server mode mkdir -p run_server cd run_server -/opt/cp2k/exe/local/cp2k.ssmp /opt/cp2k/tests/i-PI/ipi_server.inp +/opt/cp2k/build/bin/cp2k.ssmp /opt/cp2k/tests/i-PI/ipi_server.inp SERVER_EXIT_CODE=$? wait # for cp2k client to shutdown