Task 38647394
| Name | test_291-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND7340_0 |
| Workunit | 31592128 |
| Created | 23 Oct 2026, 20:08:02 UTC |
| Sent | 23 Oct 2026, 20:24:54 UTC |
| Report deadline | 28 Oct 2026, 20:24:54 UTC |
| Received | 24 Oct 2026, 8:12:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 556534 |
| Run time | 46 min 8 sec |
| CPU time | 32 min 30 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 | 687.80 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 4.38 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:18:17 (3712): wrapper (7.9.26016): starting
23:18:17 (3712): 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
23:18:18 (3712): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:18:18 (3712): 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\0\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\0\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) : {3835280} normal block at 0x0000021BB7E9A140, 8 bytes long.
Data: < > 00 00 E6 B7 1B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833988} normal block at 0x0000021BB9A575B0, 1080 bytes long.
Data: <Ps d > 50 73 00 00 CD CD CD CD 64 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000021BB7EA4F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:59:27 (29804): wrapper (7.9.26016): starting
06:59:27 (29804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849963} normal block at 0x00000211993A9600, 8 bytes long.
Data: < 7 > 00 00 37 99 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x000002119B0D74E0, 1080 bytes long.
Data: <`n > 60 6E 00 00 CD CD CD CD BC 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000211993B4F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:57:08 (35964): wrapper (7.9.26016): starting
07:57:08 (35964): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849963} normal block at 0x000001ADF3E99F60, 8 bytes long.
Data: < > 00 00 E0 F3 AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x000001ADF59D7600, 1080 bytes long.
Data: < | > A4 8E 00 00 CD CD CD CD 7C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001ADF3EA4F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:25:13 (15180): wrapper (7.9.26016): starting
08:25:13 (15180): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849963} normal block at 0x000002A946EC9890, 8 bytes long.
Data: < H > 00 00 94 48 A9 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x000002A948AD74E0, 1080 bytes long.
Data: < > x > E8 3E 00 00 CD CD CD CD 78 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000002A946ED4F30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:44:08 (24388): wrapper (7.9.26016): starting
09:44:08 (24388): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849963} normal block at 0x000001B04DBC9740, 8 bytes long.
Data: < pO > 00 00 70 4F B0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x000001B04F8E74E0, 1080 bytes long.
Data: <0 D > 30 80 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001B04DBD4F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:02:15 (5604): wrapper (7.9.26016): starting
10:02:15 (5604): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
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
10:12:30 (5604): C:/Windows/system32/cmd.exe exited; CPU time 387.265625
10:12:30 (5604): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 13028729 bytes.
Dumping objects ->
{3850052} normal block at 0x000001D8C29108B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850041} normal block at 0x000001D8C2910C30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850030} normal block at 0x000001D8C29116B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850019} normal block at 0x000001D8C29115D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850008} normal block at 0x000001D8C2910840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849977} normal block at 0x000001D8C2A48AC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849966} normal block at 0x000001D8C2A60640, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3849963} normal block at 0x000001D8C0E99BA0, 8 bytes long.
Data: < ’ÂØ > 00 00 92 C2 D8 01 00 00
{3849306} normal block at 0x000001D8C2A5F6A0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848672} normal block at 0x000001D8C0E9A230, 8 bytes long.
Data: < vªÂØ > 00 76 AA C2 D8 01 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001D8C0EA4F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x000001D8C0EA7A60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{310} normal block at 0x000001D8C0EA6050, 16 bytes long.
Data: <øwêÀØ > F8 77 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001D8C0EA6AA0, 16 bytes long.
Data: <ÐwêÀØ > D0 77 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001D8C0E9E7C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{307} normal block at 0x000001D8C0EA5F60, 16 bytes long.
Data: <¨wêÀØ > A8 77 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001D8C0EA6A50, 16 bytes long.
Data: < wêÀØ > 80 77 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001D8C0EA62D0, 16 bytes long.
Data: <XwêÀØ > 58 77 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001D8C0EA6960, 16 bytes long.
Data: <0wêÀØ > 30 77 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001D8C0E9F570, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{302} normal block at 0x000001D8C0EA6820, 16 bytes long.
Data: <ø]êÀØ > F8 5D EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D8C0E9ED00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{300} normal block at 0x000001D8C0EA6EB0, 16 bytes long.
Data: <Ð]êÀØ > D0 5D EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D8C0EA67D0, 16 bytes long.
Data: <¨]êÀØ > A8 5D EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D8C0EA6E10, 16 bytes long.
Data: < ]êÀØ > 80 5D EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D8C0EA6000, 16 bytes long.
Data: <X]êÀØ > 58 5D EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D8C0EA60A0, 16 bytes long.
Data: <0]êÀØ > 30 5D EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D8C0EA63C0, 16 bytes long.
Data: < ]êÀØ > 08 5D EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D8C0E9E4C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{292} normal block at 0x000001D8C0EA6E60, 16 bytes long.
Data: <à\êÀØ > E0 5C EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D8C0EA5CE0, 320 bytes long.
Data: <`nêÀØ ÀäéÀØ > 60 6E EA C0 D8 01 00 00 C0 E4 E9 C0 D8 01 00 00
{290} normal block at 0x000001D8C0EA6DC0, 16 bytes long.
Data: < wêÀØ > 10 77 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D8C0EA6780, 16 bytes long.
Data: <èvêÀØ > E8 76 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D8C0E9E580, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{287} normal block at 0x000001D8C0EA6D70, 16 bytes long.
Data: <ÀvêÀØ > C0 76 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D8C0E9E5E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{285} normal block at 0x000001D8C0EA6280, 16 bytes long.
Data: < vêÀØ > 08 76 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D8C0EA6D20, 16 bytes long.
Data: <àuêÀØ > E0 75 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D8C0EA6C80, 16 bytes long.
Data: <¸uêÀØ > B8 75 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D8C0EA6190, 16 bytes long.
Data: < uêÀØ > 90 75 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D8C0EA6C30, 16 bytes long.
Data: <huêÀØ > 68 75 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D8C0EA65F0, 16 bytes long.
Data: <@uêÀØ > 40 75 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D8C0EA6BE0, 16 bytes long.
Data: < õéÀØ > 00 F5 E9 C0 D8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D8C0E9F500, 40 bytes long.
Data: <àkêÀØ ÀŠ¤ÂØ > E0 6B EA C0 D8 01 00 00 C0 8A A4 C2 D8 01 00 00
{276} normal block at 0x000001D8C0EA5FB0, 16 bytes long.
Data: < uêÀØ > 20 75 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D8C0EA6B90, 16 bytes long.
Data: <øtêÀØ > F8 74 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D8C0E9E460, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{273} normal block at 0x000001D8C0EA6AF0, 16 bytes long.
Data: <ÐtêÀØ > D0 74 EA C0 D8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D8C0EA74D0, 992 bytes long.
Data: <ðjêÀØ `äéÀØ > F0 6A EA C0 D8 01 00 00 60 E4 E9 C0 D8 01 00 00
{108} normal block at 0x000001D8C0E9EDC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{107} normal block at 0x000001D8C0E9A1E0, 16 bytes long.
Data: < ñéÀØ > 10 F1 E9 C0 D8 01 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x000001D8C0E9F110, 40 bytes long.
Data: <à¡éÀØ ÀíéÀØ > E0 A1 E9 C0 D8 01 00 00 C0 ED E9 C0 D8 01 00 00
{85} normal block at 0x000001D8C0E99650, 16 bytes long.
Data: < êi ö > 80 EA 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001D8C0E99A10, 16 bytes long.
Data: <@éi ö > 40 E9 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001D8C0E99C40, 16 bytes long.
Data: <øWf ö > F8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001D8C0E99600, 16 bytes long.
Data: <ØWf ö > D8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001D8C0E9A2D0, 16 bytes long.
Data: <P f ö > 50 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001D8C0E99E70, 16 bytes long.
Data: <0 f ö > 30 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001D8C0E99880, 16 bytes long.
Data: <à f ö > E0 02 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001D8C0E9A0F0, 16 bytes long.
Data: < f ö > 10 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001D8C0E999C0, 16 bytes long.
Data: <p f ö > 70 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001D8C0E995B0, 16 bytes long.
Data: < Àd ö > 18 C0 64 12 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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