Fix submit and run file

run.sh

 source $PROJECT_ROOT/setup.sh
 
-${CONDA} run -n ${ENV_NAME} $PROJECT_ROOT/run_molformer.py
\ No newline at end of file
+${CONDA} run -n ${ENV_NAME} python $PROJECT_ROOT/run_molformer.py

run.sub

 universe                = docker
 docker_image            = docker.lsv.uni-saarland.de/mrdupont/with_env:v1.0.0
-executable              = /nethome/$(whoami)/run.sh
-environment             = "PROJECT_ROOT=/nethome/$(whoami)/Cache5MolFormer-Finetuning DATA_DIR=/data/users/$(whoami)/Cache5MolFormer-Finetuning/"
-initialdir              = /nethome/$(whoami)/
-output                  = /data/users/$(whoami)/Cache5MolFormer-Finetuning/logs/run.$(ClusterId).out
-error                   = /data/users/$(whoami)/Cache5MolFormer-Finetuning/logs/run.$(ClusterId).err
-log                     = /data/users/$(whoami)/Cache5MolFormer-Finetuning/logs/run.$(ClusterId).log
-stream_output           = True
+executable              = /nethome/$ENV(USER)/Cache5MolFormer-Finetuning/run.sh
+environment             = "PROJECT_ROOT=/nethome/$ENV(USER)/Cache5MolFormer-Finetuning DATA_DIR=/data/users/$ENV(USER)/Cache5MolFormer-Finetuning/"
+initialdir              = /nethome/$ENV(USER)/
+output                  = /data/users/$ENV(USER)/Cache5MolFormer-Finetuning/logs/run.$(ClusterId).out
+error                   = /data/users/$ENV(USER)/Cache5MolFormer-Finetuning/logs/run.$(ClusterId).err
+log                     = /data/users/$ENV(USER(/Cache5MolFormer-Finetuning/logs/run.$(ClusterId).log
 transfer_output         = True
 request_CPUs = 1
 request_GPUS = 1
-requirements = (GPUs_GlobalMemoryMb >= 12000) && (machine == "cl17lx.lsv.uni-saarland.de" || machine == "cl18lx.lsv.uni-saarland.de")
+requirements = (GPUs_GlobalMemoryMb >= 12000) && (machine == "cl18lx.lsv.uni-saarland.de")
 request_memory = 35G
-queue 1
\ No newline at end of file
+queue 1