Task 38652822
| Name | test_685-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND8877_0 |
| Workunit | 31596916 |
| Created | 24 Oct 2026, 4:35:31 UTC |
| Sent | 24 Oct 2026, 4:45:46 UTC |
| Report deadline | 29 Oct 2026, 4:45:46 UTC |
| Received | 24 Oct 2026, 5:57:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654792 |
| Run time | 17 min 14 sec |
| CPU time | 16 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.24 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:40:10 (22944): wrapper (7.9.26016): starting
07:40:10 (22944): 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
07:40:11 (22944): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:40:11 (22944): 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 'F:\Festplattenpogramme\Boinc\Boincy\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 'F:\Festplattenpogramme\Boinc\Boincy\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.
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
07:57:09 (22944): C:/Windows/system32/cmd.exe exited; CPU time 974.656250
07:57:09 (22944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
336 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: 22000469 bytes.
Dumping objects ->
{3835581} normal block at 0x000001F5E3D3D150, 64 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835570} normal block at 0x000001F5E3D3CAD0, 64 bytes long.
Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835559} normal block at 0x000001F5E2094930, 48 bytes long.
Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74
{3835548} normal block at 0x000001F5E3D3D3D0, 64 bytes long.
Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835537} normal block at 0x000001F5E3D3D8D0, 64 bytes long.
Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C
{3835506} normal block at 0x000001F5E2085840, 80 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x000001F5E208E200, 8 bytes long.
Data: < iâõ > 00 00 69 E2 F5 01 00 00
{3833963} normal block at 0x000001F5E208E160, 8 bytes long.
Data: <PØ âõ > 50 D8 07 E2 F5 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F5E20909A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F5E20858D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001F5E2095530, 16 bytes long.
Data: <è` âõ > E8 60 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F5E2095080, 16 bytes long.
Data: <À` âõ > C0 60 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F5E208F790, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001F5E2094FE0, 16 bytes long.
Data: < ` âõ > 98 60 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F5E2094F90, 16 bytes long.
Data: <p` âõ > 70 60 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F5E20956C0, 16 bytes long.
Data: <H` âõ > 48 60 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F5E20959E0, 16 bytes long.
Data: < ` âõ > 20 60 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F5E2094620, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001F5E2094F40, 16 bytes long.
Data: <¨A âõ > A8 41 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5E208F610, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001F5E20958F0, 16 bytes long.
Data: < A âõ > 80 41 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F5E2095670, 16 bytes long.
Data: <XA âõ > 58 41 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F5E2094EF0, 16 bytes long.
Data: <0A âõ > 30 41 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F5E2094E50, 16 bytes long.
Data: < A âõ > 08 41 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F5E2095C10, 16 bytes long.
Data: <à@ âõ > E0 40 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F5E2095D50, 16 bytes long.
Data: <¸@ âõ > B8 40 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F5E208F8B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001F5E20954E0, 16 bytes long.
Data: < @ âõ > 90 40 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5E2094090, 320 bytes long.
Data: <àT âõ °ø âõ > E0 54 09 E2 F5 01 00 00 B0 F8 08 E2 F5 01 00 00
{277} normal block at 0x000001F5E2095210, 16 bytes long.
Data: < ` âõ > 00 60 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F5E20951C0, 16 bytes long.
Data: <Ø_ âõ > D8 5F 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F5E208F730, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001F5E2095490, 16 bytes long.
Data: <°_ âõ > B0 5F 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5E208FAF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001F5E20957B0, 16 bytes long.
Data: <ø^ âõ > F8 5E 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F5E20958A0, 16 bytes long.
Data: <Ð^ âõ > D0 5E 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F5E2095440, 16 bytes long.
Data: <¨^ âõ > A8 5E 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F5E2095620, 16 bytes long.
Data: < ^ âõ > 80 5E 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5E20955D0, 16 bytes long.
Data: <X^ âõ > 58 5E 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5E2095A80, 16 bytes long.
Data: <0^ âõ > 30 5E 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5E2095760, 16 bytes long.
Data: <àG âõ > E0 47 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F5E20947E0, 40 bytes long.
Data: <`W âõ @X âõ > 60 57 09 E2 F5 01 00 00 40 58 08 E2 F5 01 00 00
{263} normal block at 0x000001F5E20953F0, 16 bytes long.
Data: < ^ âõ > 10 5E 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5E2095580, 16 bytes long.
Data: <è] âõ > E8 5D 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F5E208FA90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001F5E2095A30, 16 bytes long.
Data: <À] âõ > C0 5D 09 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F5E2095DC0, 992 bytes long.
Data: <0Z âõ ú âõ > 30 5A 09 E2 F5 01 00 00 90 FA 08 E2 F5 01 00 00
{95} normal block at 0x000001F5E208F0D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001F5E208F010, 16 bytes long.
Data: < Ý âõ > 80 DD 07 E2 F5 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001F5E207DD80, 40 bytes long.
Data: < ð âõ Ðð âõ > 10 F0 08 E2 F5 01 00 00 D0 F0 08 E2 F5 01 00 00
{72} normal block at 0x000001F5E208EC00, 16 bytes long.
Data: < ê Àö > 80 EA 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F5E208EE30, 16 bytes long.
Data: <@é Àö > 40 E9 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F5E208E9D0, 16 bytes long.
Data: <øW Àö > F8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F5E208ED40, 16 bytes long.
Data: <ØW Àö > D8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F5E208E570, 16 bytes long.
Data: <P Àö > 50 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F5E208E110, 16 bytes long.
Data: <0 Àö > 30 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5E208EB10, 16 bytes long.
Data: <à Àö > E0 02 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F5E208EF20, 16 bytes long.
Data: < Àö > 10 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F5E208E520, 16 bytes long.
Data: <p Àö > 70 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5E208E980, 16 bytes long.
Data: < À Àö > 18 C0 03 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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