AMBER Archive (2007)

Subject: Re: AMBER: Troubles installing amber

From: Margaret Doll (Margaret_Doll_at_brown.edu)
Date: Fri Dec 07 2007 - 15:36:36 CST

Thanks the installation of yacc solved the make problem. The tests
are all passing.

Will the program be inaccurate because all the patches failed to
install.

>> I copied the bugfix.all files off the web pages to
>> /state/partition1/apps/amber9/amberpatches
>>
>> patch -p0 -N -r patch_rejects < amberpatches
>>
>> I was required to provide a name of the file to be modified for
>> line 18066 in amberpatches.
>>
>> I provided /state/partition1/apps/amber9/src/sander/runmd.f
>>
>> The results of the patch replacements were
>> more patch_rejects
>> ***************
>> *** 814,820 ****
>> iprint = 0
>> if( nstep == 0 .or. nstep+1 == nstlim ) iprint = 1
>> ! TIME_force is started and stopped inside force
>> !
>> call force(xx,ix,ih,ipairs,x,f,ener(23),vir, &
>> xx(l96),xx(l97),xx(l98),xx(l99), qsetup,qpsander, &
>> do_list_update)
>> --- 814,825 ----
>> iprint = 0
>> if( nstep == 0 .or. nstep+1 == nstlim ) iprint = 1
>> ! TIME_force is started and stopped inside force
>> ! #ifdef MPI
>> ! if( initremd ) then
>> ! irespa = 0
>> ! end if
>> ! #endif
>> !
>> call force(xx,ix,ih,ipairs,x,f,ener(23),vir, &
>> xx(l96),xx(l97),xx(l98),xx(l99), qsetup,qpsander, &
>> do_list_update)
>>

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