Task 38662103
| Name | test_9-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND7788_2 |
| Workunit | 31597856 |
| Created | 24 Oct 2026, 17:44:31 UTC |
| Sent | 24 Oct 2026, 17:44:37 UTC |
| Report deadline | 29 Oct 2026, 17:44:37 UTC |
| Received | 25 Oct 2026, 7:56:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640055 |
| Run time | 20 min 24 sec |
| CPU time | 19 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 46,380.59 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.30 MB |
| Peak swap size | 11.50 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:33:05 (20084): wrapper (7.9.26016): starting
08:33:05 (20084): 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
08:33:06 (20084): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:33:06 (20084): 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\14\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\14\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) : {3835104} normal block at 0x000001F14FFE0A70, 8 bytes long.
Data: < LP > 00 00 4C 50 F1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x000001F14FFCDA70, 1080 bytes long.
Data: < T > C0 16 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F14FFD81F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:40:40 (24268): wrapper (7.9.26016): starting
08:40:40 (24268): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\14\tmp" existiert bereits.
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
08:55:43 (24268): C:/Windows/system32/cmd.exe exited; CPU time 891.062500
08:55:43 (24268): 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: 14915605 bytes.
Dumping objects ->
{1540} normal block at 0x0000020055EA4670, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x0000020055EA4980, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1518} normal block at 0x0000020055EA49F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1507} normal block at 0x0000020055EA4910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1496} normal block at 0x0000020055EA4830, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1465} normal block at 0x0000020055E8EBA0, 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) : {1452} normal block at 0x0000020055EA53B0, 8 bytes long.
Data: < 7V > 00 00 37 56 00 02 00 00
{303} normal block at 0x0000020055EA5A40, 8 bytes long.
Data: < = U > 00 3D EA 55 00 02 00 00
{294} normal block at 0x0000020055E961C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000020055EA4FF0, 16 bytes long.
Data: < ` U > 08 60 EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020055EA57C0, 16 bytes long.
Data: < _ U > E0 5F EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020055EA06F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000020055EA59F0, 16 bytes long.
Data: < _ U > B8 5F EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020055EA4F00, 16 bytes long.
Data: < _ U > 90 5F EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020055EA5950, 16 bytes long.
Data: <h_ U > 68 5F EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020055EA4D20, 16 bytes long.
Data: <@_ U > 40 5F EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020055EA47C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000020055EA54F0, 16 bytes long.
Data: < U > C8 97 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020055E9FF70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000020055EA5770, 16 bytes long.
Data: < U > A0 97 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020055EA4EB0, 16 bytes long.
Data: <x U > 78 97 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020055EA5630, 16 bytes long.
Data: <P U > 50 97 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020055EA5C70, 16 bytes long.
Data: <( U > 28 97 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020055EA5400, 16 bytes long.
Data: < U > 00 97 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020055EA5900, 16 bytes long.
Data: < U > D8 96 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020055EA0570, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000020055EA56D0, 16 bytes long.
Data: < U > B0 96 E9 55 00 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020055E996B0, 320 bytes long.
Data: < V U p U > D0 56 EA 55 00 02 00 00 70 05 EA 55 00 02 00 00
{273} normal block at 0x0000020055EA5810, 16 bytes long.
Data: < _ U > 20 5F EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020055EA5310, 16 bytes long.
Data: < ^ U > F8 5E EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020055E9FF10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000020055EA52C0, 16 bytes long.
Data: < ^ U > D0 5E EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020055EA02D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000020055EA50E0, 16 bytes long.
Data: < ^ U > 18 5E EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020055EA5270, 16 bytes long.
Data: < ] U > F0 5D EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020055EA5860, 16 bytes long.
Data: < ] U > C8 5D EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020055EA5720, 16 bytes long.
Data: < ] U > A0 5D EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020055EA5360, 16 bytes long.
Data: <x] U > 78 5D EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020055EA5040, 16 bytes long.
Data: <P] U > 50 5D EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020055EA5B80, 16 bytes long.
Data: < E U > 20 45 EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020055EA4520, 40 bytes long.
Data: < [ U U > 80 5B EA 55 00 02 00 00 A0 EB E8 55 00 02 00 00
{259} normal block at 0x0000020055EA5680, 16 bytes long.
Data: <0] U > 30 5D EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020055EA5220, 16 bytes long.
Data: < ] U > 08 5D EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020055EA0B10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000020055EA59A0, 16 bytes long.
Data: < \ U > E0 5C EA 55 00 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000020055EA5CE0, 992 bytes long.
Data: < Y U U > A0 59 EA 55 00 02 00 00 10 0B EA 55 00 02 00 00
{91} normal block at 0x0000020055EA0810, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000020055E9F0F0, 16 bytes long.
Data: < U > 00 B4 E8 55 00 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000020055E8B400, 40 bytes long.
Data: < U U > F0 F0 E9 55 00 02 00 00 10 08 EA 55 00 02 00 00
{68} normal block at 0x0000020055E9F910, 16 bytes long.
Data: < > 80 EA A4 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020055E9EEC0, 16 bytes long.
Data: <@ > 40 E9 A4 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020055E9F690, 16 bytes long.
Data: < W > F8 57 A1 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020055E9FC80, 16 bytes long.
Data: < W > D8 57 A1 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020055E9F460, 16 bytes long.
Data: <P > 50 04 A1 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020055E9F8C0, 16 bytes long.
Data: <0 > 30 04 A1 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020055E9F550, 16 bytes long.
Data: < > E0 02 A1 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020055E9F730, 16 bytes long.
Data: < > 10 04 A1 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020055E9F870, 16 bytes long.
Data: <p > 70 04 A1 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020055E9F370, 16 bytes long.
Data: < > 18 C0 9F EB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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