Open yongfengye opened 1 year ago
It returned an error when I shutdown the Mainprocess
File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/openff/bespokefit/executor/services/gateway.py", line 99, in wait_for_gateway
ping.raise_for_status()
File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/requests/models.py", line 1021, in raise_for_status
raise HTTPError(http_error_msg, response=self)
requests.exceptions.HTTPError: 503 Server Error: Service Unavailable for url: http://127.0.0.1:8000/api/v1
Another error occurred when I terminated the command "openff-bespoke executor launch"
bespoke-executor None ⠇ launching the bespoke executor^C worker: Hitting Ctrl+C again will terminate all running tasks! worker: Hitting Ctrl+C again will terminate all running tasks! worker: Warm shutdown (MainProcess) worker: Warm shutdown (MainProcess) worker: Hitting Ctrl+C again will terminate all running tasks! worker: Warm shutdown (MainProcess) bespoke-executor None bespoke-executor gateway.logTraceback (most recent call last): File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/bin/openff-bespoke", line 10, in sys.exit(cli()) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/click/core.py", line 1130, in __call__ return self.main(*args, **kwargs) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/click/core.py", line 1055, in main rv = self.invoke(ctx) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/click/core.py", line 1657, in invoke return _process_result(sub_ctx.command.invoke(sub_ctx)) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/click/core.py", line 1657, in invoke return _process_result(sub_ctx.command.invoke(sub_ctx)) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/click/core.py", line 1404, in invoke return ctx.invoke(self.callback, **ctx.params) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/click/core.py", line 760, in invoke return __callback(*args, **kwargs) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/openff/bespokefit/cli/executor/launch.py", line 170, in _launch_cli with BespokeExecutor( File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/openff/bespokefit/executor/executor.py", line 386, in __enter__ self._start(asynchronous=True) File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/openff/bespokefit/executor/executor.py", line 334, in _start wait_for_gateway() File "/dssg/home/acct-ins-hl/ins-hl/.conda/envs/bespokefit/lib/python3.10/site-packages/openff/bespokefit/executor/services/gateway.py", line 110, in wait_for_gateway raise RuntimeError("The gateway could not be reached.") RuntimeError: The gateway could not be reached. bespoke-executor gateway.log
Description
I installed openff-bespokefit, xtb-python and ambertools on our school HPC (I am from Shanghai Jiaotong University). But it was stuck in "lauching the bespoke executor" when I run the command that you give in the mannual:
But I successfully got the final output force field file on another ubuntu server and Mac PC used for testing. I reinstalled and tested many times on the HPC but still failed. I will much appreciate for your help.
Software versions
LSB Version: :core-4.1-amd64:core-4.1-noarch Distributor ID: CentOS Description: CentOS Linux release 8.3.2011 Release: 8.3.2011 Codename: n/a
Output of
conda list