Task assignment for bonded interactions on CUDA GPUs

[alexxy/gromacs.git] / src / gromacs / mdrun / legacymdrunoptions.h

diff --git a/src/gromacs/mdrun/legacymdrunoptions.h b/src/gromacs/mdrun/legacymdrunoptions.h
index 7584f2da072bc9e2483b91bd97466fc8a8f7e944..637cd2a6b93dabe9fd632d92e30794922c3a8fec 100644 (file)
--- a/src/gromacs/mdrun/legacymdrunoptions.h
+++ b/src/gromacs/mdrun/legacymdrunoptions.h
@@ -155,13 +155,15 @@ class LegacyMdrunOptions
         { nullptr, "auto", "cpu", "gpu", nullptr };
         const char       *pme_fft_opt_choices[5] =
         { nullptr, "auto", "cpu", "gpu", nullptr };
+        const char       *bonded_opt_choices[5] =
+        { nullptr, "auto", "cpu", "gpu", nullptr };
         gmx_bool          bTryToAppendFiles     = TRUE;
         const char       *gpuIdsAvailable       = "";
         const char       *userGpuTaskAssignment = "";
 
         ImdOptions       &imdOptions = mdrunOptions.imdOptions;
 
-        t_pargs           pa[47] = {
+        t_pargs           pa[48] = {
 
             { "-dd",      FALSE, etRVEC, {&realddxyz},
               "Domain decomposition grid, 0 is optimize" },
@@ -224,6 +226,8 @@ class LegacyMdrunOptions
               "Perform PME calculations on" },
             { "-pmefft", FALSE, etENUM, {pme_fft_opt_choices},
               "Perform PME FFT calculations on" },
+            { "-bonded",     FALSE, etENUM, {bonded_opt_choices},
+              "Perform bonded calculations on" },
             { "-v",       FALSE, etBOOL, {&mdrunOptions.verbose},
               "Be loud and noisy" },
             { "-pforce",  FALSE, etREAL, {&pforce},