Task 38683184
| Name | test_200-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1719_0 |
| Workunit | 31624762 |
| Created | 27 Oct 2026, 10:48:07 UTC |
| Sent | 27 Oct 2026, 10:48:12 UTC |
| Report deadline | 1 Nov 2026, 10:48:12 UTC |
| Received | 27 Oct 2026, 13:45:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 51 min 52 sec |
| CPU time | 48 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 681.76 MB |
| Peak swap size | 14.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:04:21 (18688): wrapper (7.9.26016): starting
15:04:21 (18688): 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
15:04:37 (18688): Library/usr/bin/tar.exe exited; CPU time 0.156250
15:04:37 (18688): 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\2\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\2\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) : {3835186} normal block at 0x000001773A807FC0, 8 bytes long.
Data: < v:w > 00 00 76 3A 77 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001773C4AE8D0, 1080 bytes long.
Data: < h > EC E8 00 00 CD CD CD CD 68 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001773A812B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:15:04 (25176): wrapper (7.9.26016): starting
15:15:04 (25176): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x0000029ABEC33900, 8 bytes long.
Data: < > 00 00 8A C0 9A 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000029ABEC34DC0, 1080 bytes long.
Data: < E L > 20 45 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
15:18:29 (57016): wrapper (7.9.26016): starting
15:18:29 (57016): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x000001F11AFF3B60, 8 bytes long.
Data: < > 00 00 FC 1A F1 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001F11AFF34B0, 1080 bytes long.
Data: < H > F8 EE 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:32:35 (59696): wrapper (7.9.26016): starting
15:32:35 (59696): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x000001E7902B4960, 8 bytes long.
Data: < $ > 00 00 24 90 E7 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001E7902B5070, 1080 bytes long.
Data: < H > 10 14 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:42:08 (59576): wrapper (7.9.26016): starting
15:42:08 (59576): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x000001CE324640B0, 8 bytes long.
Data: < 72 > 00 00 37 32 CE 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001CE324634B0, 1080 bytes long.
Data: <x P > 78 F3 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
15:45:42 (3976): wrapper (7.9.26016): starting
15:45:42 (3976): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x000001C3059F3E80, 8 bytes long.
Data: < B > 00 00 42 07 C3 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001C3059F34B0, 1080 bytes long.
Data: <L H > 4C BE 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:52:31 (64264): wrapper (7.9.26016): starting
15:52:31 (64264): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x00000281E1084970, 8 bytes long.
Data: < > 00 00 00 E1 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000281E10834B0, 1080 bytes long.
Data: < H > C8 EC 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
16:04:37 (40048): wrapper (7.9.26016): starting
16:04:37 (40048): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
16:44:44 (40048): C:/Windows/system32/cmd.exe exited; CPU time 2342.781250
16:44:44 (40048): 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: 64420464 bytes.
Dumping objects ->
{1614} normal block at 0x0000021A8A93D530, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x0000021A8A93D4C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x0000021A8A93D5A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x0000021A8A93D840, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x0000021A8A93DAE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x0000021A8A92AF50, 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) : {1526} normal block at 0x0000021A8A943DD0, 8 bytes long.
Data: < > 00 00 87 8A 1A 02 00 00
{311} normal block at 0x0000021A8A944690, 8 bytes long.
Data: <@R > 40 52 94 8A 1A 02 00 00
{302} normal block at 0x0000021A8A9268C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000021A8A943AB0, 16 bytes long.
Data: <HQ > 48 51 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000021A8A943D80, 16 bytes long.
Data: < Q > 20 51 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021A8A93CDB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000021A8A943A60, 16 bytes long.
Data: < P > F8 50 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021A8A944280, 16 bytes long.
Data: < P > D0 50 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021A8A944910, 16 bytes long.
Data: < P > A8 50 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021A8A944230, 16 bytes long.
Data: < P > 80 50 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021A8A93D7D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000021A8A9448C0, 16 bytes long.
Data: <Xh > 58 68 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021A8A93CD50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000021A8A9449B0, 16 bytes long.
Data: <0h > 30 68 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021A8A9445A0, 16 bytes long.
Data: < h > 08 68 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021A8A943F10, 16 bytes long.
Data: < g > E0 67 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021A8A944820, 16 bytes long.
Data: < g > B8 67 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021A8A944050, 16 bytes long.
Data: < g > 90 67 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021A8A944460, 16 bytes long.
Data: <hg > 68 67 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021A8A93D230, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000021A8A944640, 16 bytes long.
Data: <@g > 40 67 92 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021A8A926740, 320 bytes long.
Data: <@F 0 > 40 46 94 8A 1A 02 00 00 30 D2 93 8A 1A 02 00 00
{281} normal block at 0x0000021A8A944410, 16 bytes long.
Data: <`P > 60 50 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021A8A943E20, 16 bytes long.
Data: <8P > 38 50 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021A8A93CFF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000021A8A9444B0, 16 bytes long.
Data: < P > 10 50 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021A8A93C5D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000021A8A944780, 16 bytes long.
Data: <XO > 58 4F 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021A8A9441E0, 16 bytes long.
Data: <0O > 30 4F 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021A8A944140, 16 bytes long.
Data: < O > 08 4F 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021A8A944870, 16 bytes long.
Data: < N > E0 4E 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021A8A943D30, 16 bytes long.
Data: < N > B8 4E 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021A8A9440F0, 16 bytes long.
Data: < N > 90 4E 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021A8A9440A0, 16 bytes long.
Data: < > C0 DB 93 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021A8A93DBC0, 40 bytes long.
Data: < @ P > A0 40 94 8A 1A 02 00 00 50 AF 92 8A 1A 02 00 00
{267} normal block at 0x0000021A8A9446E0, 16 bytes long.
Data: <pN > 70 4E 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021A8A9445F0, 16 bytes long.
Data: <HN > 48 4E 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021A8A93D170, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000021A8A943CE0, 16 bytes long.
Data: < N > 20 4E 94 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021A8A944E20, 992 bytes long.
Data: < < p > E0 3C 94 8A 1A 02 00 00 70 D1 93 8A 1A 02 00 00
{99} normal block at 0x0000021A8A93CB10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000021A8A937ED0, 16 bytes long.
Data: <p > 70 DA 93 8A 1A 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000021A8A93DA70, 40 bytes long.
Data: < ~ > D0 7E 93 8A 1A 02 00 00 10 CB 93 8A 1A 02 00 00
{76} normal block at 0x0000021A8A938010, 16 bytes long.
Data: < > 80 EA F0 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000021A8A9379D0, 16 bytes long.
Data: <@ > 40 E9 F0 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000021A8A937D40, 16 bytes long.
Data: < W > F8 57 ED 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000021A8A9377A0, 16 bytes long.
Data: < W > D8 57 ED 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000021A8A937660, 16 bytes long.
Data: <P > 50 04 ED 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021A8A937700, 16 bytes long.
Data: <0 > 30 04 ED 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021A8A938510, 16 bytes long.
Data: < > E0 02 ED 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021A8A938330, 16 bytes long.
Data: < > 10 04 ED 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021A8A937D90, 16 bytes long.
Data: <p > 70 04 ED 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021A8A9376B0, 16 bytes long.
Data: < > 18 C0 EB 8B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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