so far I've made good experiences with some calculations concerning molecules (mostly playing around and understanding how the input works :) ). Now I wanted to dive a bit into calculating bandstructures but I got an error compiling the first bandstructure example in the tutorial. Since the error message is short I'll post it right here:
$ mpirun -n 4 jdftx -i totalE.in | tee totalE.out [Lenna-PC:14108][[19764,1],0] tcp_peer_send_blocking: send() to socket 12 failed: Transport endpoint is not connected (128) [Lenna-PC:14108][[19764,1],0] tcp_peer_send_blocking: send() to socket 12 failed: Transport endpoint is not connected (128)
where the first line is the run order I've typed in. After this the program crashes.
Could somebody please tell me what I'm currently doing wrong?
Thank you very much for your answer.
Best,
Lennart
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This error seems to be from MPI. If you run the same without the "mpirun -n 4", does it work correctly? If it does, then your MPI installation might be problematic. What OS and MPI libary are you using?
Best,
Shankar
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thank you very much for your quick response. It seems to run correctly without the mpirun order.
I'm using Windows as OS here, and (as a confession) had no idea what MPI library was necessary. Now I informed myself and will install Microsofts MPI v5 on monday.
Thank you for your continued support.
Best,
Lennart
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You should have OpenMPI installed already if you followed my installation instructions for jdftx on Cygwin. Your issue might be a windows MPI issue like the one discussed on this page:
Dear Shankar, dear community,
so far I've made good experiences with some calculations concerning molecules (mostly playing around and understanding how the input works :) ). Now I wanted to dive a bit into calculating bandstructures but I got an error compiling the first bandstructure example in the tutorial. Since the error message is short I'll post it right here:
$ mpirun -n 4 jdftx -i totalE.in | tee totalE.out
[Lenna-PC:14108] [[19764,1],0] tcp_peer_send_blocking: send() to socket 12 failed: Transport endpoint is not connected (128)
[Lenna-PC:14108] [[19764,1],0] tcp_peer_send_blocking: send() to socket 12 failed: Transport endpoint is not connected (128)
where the first line is the run order I've typed in. After this the program crashes.
Could somebody please tell me what I'm currently doing wrong?
Thank you very much for your answer.
Best,
Lennart
Hi Lennart,
This error seems to be from MPI. If you run the same without the "mpirun -n 4", does it work correctly? If it does, then your MPI installation might be problematic. What OS and MPI libary are you using?
Best,
Shankar
Dear Shankar,
thank you very much for your quick response. It seems to run correctly without the mpirun order.
I'm using Windows as OS here, and (as a confession) had no idea what MPI library was necessary. Now I informed myself and will install Microsofts MPI v5 on monday.
Thank you for your continued support.
Best,
Lennart
Dear Lennart,
You should have OpenMPI installed already if you followed my installation instructions for jdftx on Cygwin. Your issue might be a windows MPI issue like the one discussed on this page:
http://stackoverflow.com/questions/34032655/cygwin-error-tcp-peer-send-blocking-send-to-socket
Please let me know if the suggestions therein solve your issue.
Best,
Shankar
Dear Shankar,
your informations are worth gold! I did have OpenMPI for Cygwin installed and deactivating inactive network adapters worked for me.
Thanks again for your effort.
Best,
Lennart
Awesome, glad to hear that worked!