From: Artem Zhmurov <zhmurov@gmail.com>
Date: Mon, 30 Dec 2019 14:34:18 +0000 (+0100)
Subject: Inform user why forcing GPU update is not possible
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=7016f3f555d7187c39b9acd4a74e0a0ead6f3365;p=alexxy%2Fgromacs.git

Inform user why forcing GPU update is not possible

Currently, if the GMX_FORCE_UPDATE_DEFAULT_GPU is set in not supported
case, the update silently switches to the CPU code path. This adds the
message that informs user that this has happened and why.

Change-Id: I7317d83271158c9973f4c102d8ca830b437626b5
---

diff --git a/src/gromacs/mdrun/runner.cpp b/src/gromacs/mdrun/runner.cpp
index 4eea987110..58c12d092d 100644
--- a/src/gromacs/mdrun/runner.cpp
+++ b/src/gromacs/mdrun/runner.cpp
@@ -1194,7 +1194,7 @@ int Mdrunner::mdrunner()
                 devFlags.forceGpuUpdateDefault, useDomainDecomposition, useUpdateGroups, pmeRunMode,
                 domdecOptions.numPmeRanks > 0, useGpuForNonbonded, updateTarget, gpusWereDetected,
                 *inputrec, mtop, doEssentialDynamics, gmx_mtop_ftype_count(mtop, F_ORIRES) > 0,
-                replExParams.exchangeInterval > 0, doRerun);
+                replExParams.exchangeInterval > 0, doRerun, mdlog);
     }
     GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
 
diff --git a/src/gromacs/taskassignment/decidegpuusage.cpp b/src/gromacs/taskassignment/decidegpuusage.cpp
index 3bb192d446..3974e7b013 100644
--- a/src/gromacs/taskassignment/decidegpuusage.cpp
+++ b/src/gromacs/taskassignment/decidegpuusage.cpp
@@ -489,20 +489,21 @@ bool decideWhetherToUseGpusForBonded(const bool       useGpuForNonbonded,
     return gpusWereDetected && usingOurCpuForPmeOrEwald;
 }
 
-bool decideWhetherToUseGpuForUpdate(const bool        forceGpuUpdateDefault,
-                                    const bool        isDomainDecomposition,
-                                    const bool        useUpdateGroups,
-                                    const PmeRunMode  pmeRunMode,
-                                    const bool        havePmeOnlyRank,
-                                    const bool        useGpuForNonbonded,
-                                    const TaskTarget  updateTarget,
-                                    const bool        gpusWereDetected,
-                                    const t_inputrec& inputrec,
-                                    const gmx_mtop_t& mtop,
-                                    const bool        useEssentialDynamics,
-                                    const bool        doOrientationRestraints,
-                                    const bool        useReplicaExchange,
-                                    const bool        doRerun)
+bool decideWhetherToUseGpuForUpdate(const bool           forceGpuUpdateDefault,
+                                    const bool           isDomainDecomposition,
+                                    const bool           useUpdateGroups,
+                                    const PmeRunMode     pmeRunMode,
+                                    const bool           havePmeOnlyRank,
+                                    const bool           useGpuForNonbonded,
+                                    const TaskTarget     updateTarget,
+                                    const bool           gpusWereDetected,
+                                    const t_inputrec&    inputrec,
+                                    const gmx_mtop_t&    mtop,
+                                    const bool           useEssentialDynamics,
+                                    const bool           doOrientationRestraints,
+                                    const bool           useReplicaExchange,
+                                    const bool           doRerun,
+                                    const gmx::MDLogger& mdlog)
 {
 
     // '-update cpu' overrides the environment variable, '-update auto' does not
@@ -622,7 +623,18 @@ bool decideWhetherToUseGpuForUpdate(const bool        forceGpuUpdateDefault,
 
     if (!errorMessage.empty())
     {
-        if (updateTarget == TaskTarget::Gpu)
+        if (updateTarget != TaskTarget::Gpu && forceGpuUpdateDefault)
+        {
+            GMX_LOG(mdlog.warning)
+                    .asParagraph()
+                    .appendText(
+                            "Update task on the GPU was required, by the "
+                            "GMX_FORCE_UPDATE_DEFAULT_GPU environment variable, but the following "
+                            "condition(s) were not satisfied:");
+            GMX_LOG(mdlog.warning).asParagraph().appendText(errorMessage.c_str());
+            GMX_LOG(mdlog.warning).asParagraph().appendText("Will use CPU version of update.");
+        }
+        else if (updateTarget == TaskTarget::Gpu)
         {
             std::string prefix = gmx::formatString(
                     "Update task on the GPU was required,\n"
diff --git a/src/gromacs/taskassignment/decidegpuusage.h b/src/gromacs/taskassignment/decidegpuusage.h
index 94db669b4f..6d22cf843a 100644
--- a/src/gromacs/taskassignment/decidegpuusage.h
+++ b/src/gromacs/taskassignment/decidegpuusage.h
@@ -53,6 +53,8 @@ enum class PmeRunMode;
 namespace gmx
 {
 
+class MDLogger;
+
 //! Record where a compute task is targetted.
 enum class TaskTarget : int
 {
@@ -247,25 +249,27 @@ bool decideWhetherToUseGpusForBonded(bool       useGpuForNonbonded,
  * \param[in]  doOrientationRestraints      If orientation restraints are enabled.
  * \param[in]  useReplicaExchange           If this is a REMD simulation.
  * \param[in]  doRerun                      It this is a rerun.
+ * \param[in]  mdlog                        MD logger.
  *
  * \returns    Whether complete simulation can be run on GPU.
  * \throws     std::bad_alloc            If out of memory
  *             InconsistentInputError    If the user requirements are inconsistent.
  */
-bool decideWhetherToUseGpuForUpdate(bool              forceGpuUpdateDefault,
-                                    bool              isDomainDecomposition,
-                                    bool              useUpdateGroups,
-                                    PmeRunMode        pmeRunMode,
-                                    bool              havePmeOnlyRank,
-                                    bool              useGpuForNonbonded,
-                                    TaskTarget        updateTarget,
-                                    bool              gpusWereDetected,
-                                    const t_inputrec& inputrec,
-                                    const gmx_mtop_t& mtop,
-                                    bool              useEssentialDynamics,
-                                    bool              doOrientationRestraints,
-                                    bool              useReplicaExchange,
-                                    bool              doRerun);
+bool decideWhetherToUseGpuForUpdate(bool                 forceGpuUpdateDefault,
+                                    bool                 isDomainDecomposition,
+                                    bool                 useUpdateGroups,
+                                    PmeRunMode           pmeRunMode,
+                                    bool                 havePmeOnlyRank,
+                                    bool                 useGpuForNonbonded,
+                                    TaskTarget           updateTarget,
+                                    bool                 gpusWereDetected,
+                                    const t_inputrec&    inputrec,
+                                    const gmx_mtop_t&    mtop,
+                                    bool                 useEssentialDynamics,
+                                    bool                 doOrientationRestraints,
+                                    bool                 useReplicaExchange,
+                                    bool                 doRerun,
+                                    const gmx::MDLogger& mdlog);
 
 
 } // namespace gmx