Hi Rakesh,
The flag you want is ‘-rism’. Try
./configure -mpi -rism gnu
Tyler
> On Apr 13, 2017, at 9:54 PM, Rakesh Srivastava <allahabad.21.gmail.com> wrote:
>
> Hello everyone,
> I am trying to compile the MPI version of 3D-RISM but it is giving an
> error: unknown flag rismmpi. If someone could help, it will be great.
>
> Following is the error obtained:
>
> [rakesh.pblab1 amber14]$ ./configure -mpi -rismmpi gnu
> Checking for updates...
> Warning: AMBERHOME [/home/atul/bin/amber14] differs from expected
> [/home/atul/amber14].
> No changes will be made until this is fixed
> Checking for available patches online. This may take a few seconds...
> Traceback (most recent call last):
> File "./update_amber", line 23, in <module>
> app.mainloop()
> File "/home/atul/amber14/updateutils/main.py", line 479, in mainloop
> self.check_updates()
> File "/home/atul/amber14/updateutils/main.py", line 164, in check_updates
> self.upgrade.load_upgrade_info()
> File "/home/atul/amber14/updateutils/downloader.py", line 104, in new_fcn
> return fcn(*args, **kwargs)
> File "/home/atul/amber14/updateutils/upgrade.py", line 96, in
> load_upgrade_info
> self.message = msgre.findall(msgtext)[0].strip()
> IndexError: list index out of range
> Check for updates failed.
> Error: unknown flag: -rismmpi
> Type './configure -help' for options.
> Configure failed due to the errors above!
>
> Thanks in advance.
>
> Rakesh Srivastava
> School of Computational & Integrative Sciences
> Jawaharlal Nehru University, New Delhi-110067
> India
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Received on Thu Apr 13 2017 - 22:30:02 PDT
