Hello I've been trying to run numforce on a optimized structure (see attached coord file). It gets to the last step and then I see following error: STOP NumForce: There is a problem with xm57 !
I'm not sure what the problem means. The version of turbomole I'm using is turbomole 7.02.
I've attached my coord file, control file, numforce output file.
I also found files (xm57.problem, xm57.coord, and xm57.n280:2.err) associated with xm57 that came from a generated directory called KraftWerk.
The xm57.problem was a blank file but the xm57.n280:2.err read:
OpenSSH_5.3p1, OpenSSL 1.0.0-fips 29 Mar 2010
debug1: Reading configuration data /etc/ssh/ssh_config^M
debug1: Applying options for *^M
debug1: Connecting to n280 [10.201.2.24] port 22.^M
debug1: Connection established.^M
debug1: identity file /ihome/gmpourmpakis/naa64/.ssh/identity type -1^M
debug1: identity file /ihome/gmpourmpakis/naa64/.ssh/id_rsa type 1^M
debug1: identity file /ihome/gmpourmpakis/naa64/.ssh/id_dsa type -1^M
debug1: Remote protocol version 2.0, remote software version OpenSSH_5.3^M
debug1: match: OpenSSH_5.3 pat OpenSSH*^M
debug1: Enabling compatibility mode for protocol 2.0^M
debug1: Local version string SSH-2.0-OpenSSH_5.3^M
debug1: SSH2_MSG_KEXINIT sent^M
debug1: SSH2_MSG_KEXINIT received^M
debug1: kex: server->client aes128-ctr hmac-md5 none^M
debug1: kex: client->server aes128-ctr hmac-md5 none^M
debug1: SSH2_MSG_KEX_DH_GEX_REQUEST(1024<1024<8192) sent^M
debug1: expecting SSH2_MSG_KEX_DH_GEX_GROUP^M
debug1: SSH2_MSG_KEX_DH_GEX_INIT sent^M
debug1: expecting SSH2_MSG_KEX_DH_GEX_REPLY^M
Warning: Permanently added 'n280,10.201.2.24' (RSA) to the list of known hosts.^M
debug1: ssh_rsa_verify: signature correct^M
debug1: SSH2_MSG_NEWKEYS sent^M
debug1: expecting SSH2_MSG_NEWKEYS^M
debug1: SSH2_MSG_NEWKEYS received^M
debug1: SSH2_MSG_SERVICE_REQUEST sent^M
debug1: SSH2_MSG_SERVICE_ACCEPT received^M
debug1: Authentications that can continue: publickey^M
debug1: Next authentication method: publickey^M
debug1: Trying private key: /ihome/gmpourmpakis/naa64/.ssh/identity^M
debug1: Offering public key: /ihome/gmpourmpakis/naa64/.ssh/id_rsa^M
debug1: Server accepts key: pkalg ssh-rsa blen 277^M
debug1: read PEM private key done: type RSA^M
debug1: Authentication succeeded (publickey).^M
debug1: channel 0: new [client-session]^M
debug1: Requesting no-more-sessions@openssh.com^M
debug1: Entering interactive session.^M
debug1: Sending command: /bin/sh -c ' cd /scratch/3492447.clusman0a.frank.sam.pitt.edu/numforce/KraftWerk ; export PATH=$PATH:. ; . ENVIRONMENT.84050 ; /opt/sam/turbomole/7.02/scripts/runsingle xm57 n280:2 '^M
ridft ended normally
debug1: client_input_channel_req: channel 0 rtype exit-status reply 0^M
debug1: channel 0: free: client-session, nchannels 1^M
debug1: fd 0 clearing O_NONBLOCK^M
debug1: fd 2 clearing O_NONBLOCK^M
Transferred: sent 2528, received 2248 bytes, in 91416.8 seconds^M
Bytes per second: sent 0.0, received 0.0^M
debug1: Exit status 0^M