From a3de234873f7de62b29b79857136e1ad8656c520 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 4 Apr 2025 03:40:25 -0400
Subject: [PATCH] update valgrind suppressions for Fedora 41

---
 tools/valgrind/LLVM.supp  | 140 ++++++++++++++++++++++++++++++++++++++
 tools/valgrind/MPICH.supp |  40 +++++++++++
 tools/valgrind/README     |  21 +++++-
 3 files changed, 199 insertions(+), 2 deletions(-)
 create mode 100644 tools/valgrind/LLVM.supp

diff --git a/tools/valgrind/LLVM.supp b/tools/valgrind/LLVM.supp
new file mode 100644
index 0000000000..84f16ece4f
--- /dev/null
+++ b/tools/valgrind/LLVM.supp
@@ -0,0 +1,140 @@
+{
+   LLVM_addOption1
+   Memcheck:Leak
+   match-leak-kinds: reachable
+   fun:*
+   fun:*
+   fun:Allocate
+   ...
+   fun:insert
+   ...
+   fun:forEachSubCommand
+   fun:addOption
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+}
+{
+   LLVM_addOption2
+   Memcheck:Leak
+   match-leak-kinds: reachable
+   fun:*
+   fun:*
+   fun:Allocate
+   ...
+   fun:insert
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   fun:forEachSubCommand
+   fun:addOption
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+}
+{
+   LLVM_addOption3
+   Memcheck:Leak
+   match-leak-kinds: reachable
+   fun:calloc
+   fun:safe_calloc
+   fun:insert
+   ...
+   fun:forEachSubCommand
+   fun:addOption
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   obj:*
+   obj:*
+   obj:*
+}
+{
+   LLVM_addOption4
+   Memcheck:Leak
+   match-leak-kinds: reachable
+   fun:calloc
+   fun:safe_calloc
+   ...
+   fun:insert
+   ...
+   fun:forEachSubCommand
+   fun:addOption
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   obj:*
+   obj:*
+   obj:*
+}
+{
+   LLVM_insert1
+   Memcheck:Leak
+   match-leak-kinds: reachable
+   fun:*
+   fun:*
+   fun:Allocate
+   ...
+   fun:insert
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+}
+{
+   LLVM_init1
+   Memcheck:Leak
+   match-leak-kinds: reachable
+   fun:*
+   fun:call
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+}
+{
+   LLVM_register1
+   Memcheck:Leak
+   match-leak-kinds: reachable
+   fun:*
+   fun:*
+   fun:*
+   fun:*
+   fun:*
+   fun:registerCategory
+   ...
+   fun:Option
+   ...
+   fun:call_init
+   fun:call_init
+   fun:_dl_init
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+   obj:*
+}
diff --git a/tools/valgrind/MPICH.supp b/tools/valgrind/MPICH.supp
index 80d46a49c8..55dc246ad5 100644
--- a/tools/valgrind/MPICH.supp
+++ b/tools/valgrind/MPICH.supp
@@ -81,3 +81,43 @@
    fun:PMPI_Init
    fun:main
 }
+{
+   MPICH_MPI_init7
+   Memcheck:Param
+   socketcall.sendto(msg)
+   fun:__libc_send
+   fun:send
+   ...
+   fun:psmx3_sep_open
+   ...
+   fun:PMPI_Init
+   fun:main
+}
+{
+   MPICH_MPI_init8
+   Memcheck:Param
+   socketcall.sendto(msg)
+   fun:__libc_send
+   fun:send
+   ...
+   fun:psmx3_sep_close
+   ...
+   fun:MPID_Finalize
+   fun:MPII_Finalize
+   fun:*
+   fun:*
+   fun:PMPI_Finalize
+   fun:main
+}
+{
+   MPICH_MPI_init9
+   Memcheck:Leak
+   match-leak-kinds: definite
+   fun:calloc
+   fun:psmx3_recv_generic
+   ...
+   fun:MPIDI_OFI_init_local
+   ...
+   fun:PMPI_Init
+   fun:main
+}
diff --git a/tools/valgrind/README b/tools/valgrind/README
index e62031da9b..c28a9aa417 100644
--- a/tools/valgrind/README
+++ b/tools/valgrind/README
@@ -5,15 +5,32 @@ and fixing real issues. When using CMake, these are automatically included
 when running "ctest -T memcheck". To manually add them to do a memory check
 on running LAMMPS, use a command line like following:
 
-valgrind --show-leak-kinds=all --track-origins=yes \
+valgrind --leak-check=full --show-leak-kinds=all --track-origins=yes \
    --suppressions=/path/to/lammps/tools/valgrind/OpenMP.supp \
    --suppressions=/path/to/lammps/tools/valgrind/OpenMPI.supp \
    --suppressions=/path/to/lammps/tools/valgrind/MPICH.supp \
+   --suppressions=/path/to/lammps/tools/valgrind/LLVM.supp \
    --suppressions=/path/to/lammps/tools/valgrind/Python3.supp \
    --suppressions=/path/to/lammps/tools/valgrind/GTest.supp \
    --suppressions=/path/to/lammps/tools/valgrind/FlexiBLAS.supp \
    --suppressions=/path/to/lammps/tools/valgrind/readline.supp \
     lmp -in in.melt
 
-Last update: 2022-08-11
+Or you can create a file $HOME/.valgrindrc with one option per line:
 
+--leak-check=full
+--show-leak-kinds=all
+--track-origins=yes
+--suppressions=/path/to/lammps/tools/valgrind/OpenMP.supp
+--suppressions=/path/to/lammps/tools/valgrind/OpenMPI.supp
+--suppressions=/path/to/lammps/tools/valgrind/MPICH.supp
+--suppressions=/path/to/lammps/tools/valgrind/LLVM.supp
+--suppressions=/path/to/lammps/tools/valgrind/GTest.supp
+--suppressions=/path/to/lammps/tools/valgrind/FlexiBLAS.supp
+--suppressions=/path/to/lammps/tools/valgrind/readline.supp
+--suppressions=/path/to/lammps/tools/valgrind/Python3.supp
+
+These options will be automatically added to the valgrind
+command line, so it becomes: valgrind lmp -in in.melt
+
+Last update: 2025-04-04