nucleonmatterad

Algorithmic differentiation of either symmetric nuclear matter (SNM) or pure neutron matter (PNM).

Description of the files in the original code:

file subroutines calls notes (entries)

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src/nm.f nm header driving code nucmat timer computes energy for one set of (nminit) minimi parameters and optionally (nmfin) nmmain calls minimization package nmout to search for best values

src/nmspot.f nmspot header alternate driving code timer for single-particle potential nmmain

nm.in sample input deck

nm.out sample output deck

src/nmmain.f: nmmain nmfts main energy computation nmhot calls correlation generator nmsps and fhnc/soc chain solver nmchain sums 2-body and separable nmhnc energies nmtbi nmpion

src/nmchain.f nmchain ----- sums chain energies

src/nmfts.f nmfts setpot correlation generator nmhot pot (4x)

src/nmhnc.f nmhnc locate solves fhnc/soc equations polint

src/nmtbi.f nmtbi ----- Vijk, U, UF integrations

src/nmsub.f nmhot ----- finite temperature setup nmsps single-particle potential setup nmpion excess pion calculation nmout output routine ac operator matrix functions (acex) (acl2) (acl2ex) (al2)

pot.f setpot ----- potential initialization (pot) potential subroutine

headtime.f header output header | machine- timer timing routine | dependent

minimi.f minimi dsvdc minimization package for monitr dgeco finding optimal parameters functn dgesl smplex simplex routine versrt centrd reflct expand cntrct movevt checkt newset quadr quadratic routine indexx

numrec.f locate ----- numerical recipes polint

linpack.f dgeco standard linpack routines dgedi needed by minimization dgefa package (use single-precision dsvdc variant on a cray) dasum daxpy ddot dnrm2 drot drotg dscal dswap idamax

Obtaining the Nucleonmatter code

The code can be cloned from git clone https://github.com/sriharikrishna/nucleonmatterad.git

or checked out of svn co https://repocafe.cels.anl.gov/repos/nucleonmatter

Installing OpenAD

Comprehensive instructions on obtianing and building OpenAD are available at http://www.mcs.anl.gov/OpenAD/

Creating the differentiated code

1. Every session must start with executing source setenv.sh OR source setenv.csh within OpenAD source directory.

2. Change directory to src

3. Based on whether one wants to run pnm or snm versions and forward mode (tangent linear) or reverse mode (adjoint) AD one can employ the following commands

   a. Forward mode AD code for snm make -f MakefileOpenADF clean ; make prep CASE=snm ; make -f MakefileOpenADF

   b. Reverse mode AD code for snm make -f MakefileOpenAD clean ; make prep CASE=snm ; make -f MakefileOpenAD

   c. Forward mode AD code for pnm make -f MakefileOpenADF clean ; make prep CASE=pnm ; make -f MakefileOpenADF

   d. Reverse mode AD code for pnm make -f MakefileOpenADclean ; make prep CASE=pnm ; make -f MakefileOpenAD

4. Running the differentiated code

   Based on the differenitated code, one should either nmad a < inputfile > outputfile or nmad a < inputfile > outputfile

Running Finite Differences

1. Change directory to src
2. Run either make clean ; make prep CASE=snm ; make CASE=snm or make clean ; make prep CASE=pnm ; make CASE=pnm
3. Then run snm/snm.x f < inputfile > outputfile or pnm/pnm.x f < inputfile > outputfile