Dear Isabel
On 08/10/2019 14:53, Isabel Uson wrote:
Dear Bernhard and Peter,
as Tim describes, changing the grub loader fixes the problem.
Unfortunately, this is not a viable solution. Many crystallographers do
not have root access on their systems. Their system administration staff
will have the task of ensuring system stability for a large community of
users with a wide range of requirements, and may have policies in place
which make the changing of kernel parameters extremely problematic. For
example, an extensive set of compliance procedures may have to be
repeated after a change to kernel parameters, and busy sysadmins may
argue that this cannot be prioritised for the sake of a few specialised
applications, no matter how important to the crystallographers.
I am sure that this sounds alien to crystallographers who manage their
own systems, but those of us who distribute software have to deal with
the world as it is.
I have looked into the changes to eliminate system calls and provide a
version that would work without changes to the system, they are
relatively minor. SHELXE just needs to eliminate calls to system time,
pity for the convenient profiling but it can still be an option to be
activated with the appropriate kernel. I just checked that the static
version compiled with this change works perfectly on Debian 10.
SHELXD in addition would need to get the number of threads as an input
parameter rather than use what it detects in the system. We could
shift to the interfaces the tasks of finding out the number of cores
(and passing some time information to record in the output). The
parameter already exists (-t) and users still fond of a terminal and
command line usually know how many cores their machines have.
IMHO it would be a pity to change/remove functionality when the problem
can be solved in other ways.....
Up to George of course, whether he wants us to provide these versions
and by when. Maybe he favours other alternatives.
....but yes, George and others need to decide. I'm not pushing for any
solution in particular, except to say that it should work for major
distributions in their default configuration.
Regards,
Peter.
Best wishes,
Isabel
--
Peter Keller Tel.: +44 (0)1223 353033
Global Phasing Ltd., Fax.: +44 (0)1223 366889
Sheraton House,
Castle Park,
Cambridge CB3 0AX
United Kingdom
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