Task 38655753

Name	test_752-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND7683_0
Workunit	31599505
Created	24 Oct 2026, 9:55:38 UTC
Sent	24 Oct 2026, 9:55:49 UTC
Report deadline	29 Oct 2026, 9:55:49 UTC
Received	24 Oct 2026, 16:36:14 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	604846
Run time	42 min 12 sec
CPU time	39 min 24 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	5,156.89 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	699.86 MB
Peak swap size	9.74 GB
Peak disk usage	4.18 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:03:18 (14424): wrapper (7.9.26016): starting
05:03:18 (14424): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
05:03:19 (14424): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:03:19 (14424): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x000001D9F7861450, 8 bytes long.
 Data: <  +     > 00 00 2B F9 D9 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001D9F9665B80, 1080 bytes long.
 Data: < j      (       > 90 6A 00 00 CD CD CD CD 28 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D9F7856530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
06:22:53 (6136): wrapper (7.9.26016): starting
06:22:53 (6136): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000002493E856D30, 8 bytes long.
 Data: <   >I   > 00 00 82 3E 49 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000002493E856F80, 1080 bytes long.
 Data: <        L       > 90 01 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
07:00:08 (28352): wrapper (7.9.26016): starting
07:00:08 (28352): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x00000183FE8462E0, 8 bytes long.
 Data: <        > 00 00 E2 FE 83 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000183FE846F80, 1080 bytes long.
 Data: <        T       > F8 16 00 00 CD CD CD CD 54 01 00 00 00 00 00 00 
Object dump complete.
07:24:17 (12876): wrapper (7.9.26016): starting
07:24:17 (12876): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x00000144BF526650, 8 bytes long.
 Data: <  J D   > 00 00 4A BF 44 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000144BF526F80, 1080 bytes long.
 Data: < }      L       > EC 7D 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
07:35:06 (16196): wrapper (7.9.26016): starting
07:35:06 (16196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x00000202563471F0, 8 bytes long.
 Data: <  ~V    > 00 00 7E 56 02 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000202563480C0, 1080 bytes long.
 Data: < =      L       > 98 3D 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
10:47:11 (19868): wrapper (7.9.26016): starting
10:47:11 (19868): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000001D8205D6BF0, 8 bytes long.
 Data: <  V     > 00 00 56 20 D8 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001D8205D6F80, 1080 bytes long.
 Data: <X&      L       > 58 26 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
11:03:39 (34800): wrapper (7.9.26016): starting
11:03:39 (34800): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x0000027A087176F0, 8 bytes long.
 Data: <  i z   > 00 00 69 08 7A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000027A087178A0, 1080 bytes long.
 Data: <        T       > 84 85 00 00 CD CD CD CD 54 01 00 00 00 00 00 00 
Object dump complete.
11:29:41 (19868): wrapper (7.9.26016): starting
11:29:41 (19868): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:31:48 (19868): C:/Windows/system32/cmd.exe exited; CPU time 97.656250
11:31:48 (19868): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 2367446 bytes.
Dumping objects ->
{1541} normal block at 0x000001BD5CA75660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1530} normal block at 0x000001BD5CA75740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1519} normal block at 0x000001BD5CA75430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1508} normal block at 0x000001BD5CA753C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1497} normal block at 0x000001BD5CA75350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1466} normal block at 0x000001BD5CA61370, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000001BD5CA76A00, 8 bytes long.
 Data: <  `^    > 00 00 60 5E BD 01 00 00 
{304} normal block at 0x000001BD5CA762D0, 8 bytes long.
 Data: < n \    > D0 6E A7 5C BD 01 00 00 
{295} normal block at 0x000001BD5CA5FB00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001BD5CA76730, 16 bytes long.
 Data: < ] \            > C8 5D A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BD5CA76C30, 16 bytes long.
 Data: < ] \            > A0 5D A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BD5CA6ECA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001BD5CA75FB0, 16 bytes long.
 Data: <x] \            > 78 5D A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BD5CA76820, 16 bytes long.
 Data: <P] \            > 50 5D A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BD5CA76140, 16 bytes long.
 Data: <(] \            > 28 5D A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BD5CA76460, 16 bytes long.
 Data: < ] \            > 00 5D A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BD5CA756D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001BD5CA76D70, 16 bytes long.
 Data: <   \            > B8 00 A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BD5CA6F0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001BD5CA76230, 16 bytes long.
 Data: <   \            > 90 00 A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BD5CA767D0, 16 bytes long.
 Data: <h  \            > 68 00 A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BD5CA761E0, 16 bytes long.
 Data: <@  \            > 40 00 A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BD5CA76CD0, 16 bytes long.
 Data: <   \            > 18 00 A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BD5CA76410, 16 bytes long.
 Data: <   \            > F0 FF A6 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BD5CA76E10, 16 bytes long.
 Data: <   \            > C8 FF A6 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BD5CA6F060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001BD5CA76190, 16 bytes long.
 Data: <   \            > A0 FF A6 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BD5CA6FFA0, 320 bytes long.
 Data: < a \    `  \    > 90 61 A7 5C BD 01 00 00 60 F0 A6 5C BD 01 00 00 
{274} normal block at 0x000001BD5CA769B0, 16 bytes long.
 Data: < \ \            > E0 5C A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BD5CA76500, 16 bytes long.
 Data: < \ \            > B8 5C A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BD5CA6E280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001BD5CA764B0, 16 bytes long.
 Data: < \ \            > 90 5C A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BD5CA6E400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001BD5CA76780, 16 bytes long.
 Data: < [ \            > D8 5B A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BD5CA763C0, 16 bytes long.
 Data: < [ \            > B0 5B A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BD5CA76000, 16 bytes long.
 Data: < [ \            > 88 5B A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BD5CA768C0, 16 bytes long.
 Data: <`[ \            > 60 5B A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BD5CA76AF0, 16 bytes long.
 Data: <8[ \            > 38 5B A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BD5CA70AE0, 16 bytes long.
 Data: < [ \            > 10 5B A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BD5CA70680, 16 bytes long.
 Data: < T \            > A0 54 A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BD5CA754A0, 40 bytes long.
 Data: <   \    p  \    > 80 06 A7 5C BD 01 00 00 70 13 A6 5C BD 01 00 00 
{260} normal block at 0x000001BD5CA71580, 16 bytes long.
 Data: < Z \            > F0 5A A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BD5CA71530, 16 bytes long.
 Data: < Z \            > C8 5A A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BD5CA6EC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001BD5CA713F0, 16 bytes long.
 Data: < Z \            > A0 5A A7 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BD5CA75AA0, 992 bytes long.
 Data: <   \    @  \    > F0 13 A7 5C BD 01 00 00 40 EC A6 5C BD 01 00 00 
{92} normal block at 0x000001BD5CA6E940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001BD5CA70860, 16 bytes long.
 Data: <`  \            > 60 D1 A5 5C BD 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001BD5CA5D160, 40 bytes long.
 Data: <`  \    @  \    > 60 08 A7 5C BD 01 00 00 40 E9 A6 5C BD 01 00 00 
{69} normal block at 0x000001BD5CA71440, 16 bytes long.
 Data: <                > 80 EA 84 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BD5CA70F40, 16 bytes long.
 Data: <@               > 40 E9 84 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BD5CA70E50, 16 bytes long.
 Data: < W              > F8 57 81 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BD5CA71030, 16 bytes long.
 Data: < W              > D8 57 81 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BD5CA70C70, 16 bytes long.
 Data: <P               > 50 04 81 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BD5CA71350, 16 bytes long.
 Data: <0               > 30 04 81 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BD5CA711C0, 16 bytes long.
 Data: <                > E0 02 81 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BD5CA70DB0, 16 bytes long.
 Data: <                > 10 04 81 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BD5CA71170, 16 bytes long.
 Data: <p               > 70 04 81 BD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BD5CA70B80, 16 bytes long.
 Data: <                > 18 C0 7F BD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>