Task 38668385
| Name | test_1357-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND3375_0 |
| Workunit | 31610917 |
| Created | 25 Oct 2026, 11:35:34 UTC |
| Sent | 25 Oct 2026, 11:35:46 UTC |
| Report deadline | 30 Oct 2026, 11:35:46 UTC |
| Received | 25 Oct 2026, 13:04:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 619058 |
| Run time | 22 min 9 sec |
| CPU time | 20 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.76 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:42:43 (39916): wrapper (7.9.26016): starting
06:42:43 (39916): 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
06:42:44 (39916): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:42:44 (39916): 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.
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
07:03:48 (39916): C:/Windows/system32/cmd.exe exited; CPU time 1250.656250
07:03:48 (39916): 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: 32502315 bytes.
Dumping objects ->
{3835217} normal block at 0x000002D5D34459E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x000002D5D34456D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x000002D5D3445970, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835184} normal block at 0x000002D5D3445510, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835173} normal block at 0x000002D5D34454A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835142} normal block at 0x000002D5D5198300, 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) : {3835129} normal block at 0x000002D5D343E660, 8 bytes long.
Data: < <ÓÕ > 00 00 3C D3 D5 02 00 00
{3833963} normal block at 0x000002D5D343DC10, 8 bytes long.
Data: < A ÕÕ > 00 41 1F D5 D5 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002D5D3441660, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002D5D3436A50, 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 0x000002D5D3446450, 16 bytes long.
Data: <htDÓÕ > 68 74 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002D5D34468B0, 16 bytes long.
Data: <@tDÓÕ > 40 74 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D5D34403D0, 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 0x000002D5D3446220, 16 bytes long.
Data: < tDÓÕ > 18 74 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D5D3446EF0, 16 bytes long.
Data: <ðsDÓÕ > F0 73 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D5D3447030, 16 bytes long.
Data: <ÈsDÓÕ > C8 73 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D5D3446D10, 16 bytes long.
Data: < sDÓÕ > A0 73 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D5D3445660, 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 0x000002D5D34463B0, 16 bytes long.
Data: <Ø CÓÕ > D8 98 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D5D3440550, 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 0x000002D5D3446C70, 16 bytes long.
Data: <° CÓÕ > B0 98 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D5D3446810, 16 bytes long.
Data: < CÓÕ > 88 98 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D5D34461D0, 16 bytes long.
Data: <` CÓÕ > 60 98 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D5D3446950, 16 bytes long.
Data: <8 CÓÕ > 38 98 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D5D34466D0, 16 bytes long.
Data: < CÓÕ > 10 98 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D5D3446A40, 16 bytes long.
Data: <è—CÓÕ > E8 97 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D5D3440790, 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 0x000002D5D3446860, 16 bytes long.
Data: <À—CÓÕ > C0 97 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D5D34397C0, 320 bytes long.
Data: <`hDÓÕ DÓÕ > 60 68 44 D3 D5 02 00 00 90 07 44 D3 D5 02 00 00
{277} normal block at 0x000002D5D3446BD0, 16 bytes long.
Data: < sDÓÕ > 80 73 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D5D3446180, 16 bytes long.
Data: <XsDÓÕ > 58 73 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D5D3440370, 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 0x000002D5D3446900, 16 bytes long.
Data: <0sDÓÕ > 30 73 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D5D3440730, 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 0x000002D5D3446EA0, 16 bytes long.
Data: <xrDÓÕ > 78 72 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D5D34470D0, 16 bytes long.
Data: <PrDÓÕ > 50 72 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D5D3446E00, 16 bytes long.
Data: <(rDÓÕ > 28 72 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D5D3446360, 16 bytes long.
Data: < rDÓÕ > 00 72 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D5D3446D60, 16 bytes long.
Data: <ØqDÓÕ > D8 71 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D5D34467C0, 16 bytes long.
Data: <°qDÓÕ > B0 71 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D5D3446630, 16 bytes long.
Data: <ÀZDÓÕ > C0 5A 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D5D3445AC0, 40 bytes long.
Data: <0fDÓÕ ƒ ÕÕ > 30 66 44 D3 D5 02 00 00 00 83 19 D5 D5 02 00 00
{263} normal block at 0x000002D5D34469A0, 16 bytes long.
Data: < qDÓÕ > 90 71 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D5D3446310, 16 bytes long.
Data: <hqDÓÕ > 68 71 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D5D3440490, 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 0x000002D5D3447080, 16 bytes long.
Data: <@qDÓÕ > 40 71 44 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002D5D3447140, 992 bytes long.
Data: < pDÓÕ DÓÕ > 80 70 44 D3 D5 02 00 00 90 04 44 D3 D5 02 00 00
{95} normal block at 0x000002D5D3440670, 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 0x000002D5D343E200, 16 bytes long.
Data: <0úCÓÕ > 30 FA 43 D3 D5 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002D5D343FA30, 40 bytes long.
Data: < âCÓÕ p DÓÕ > 00 E2 43 D3 D5 02 00 00 70 06 44 D3 D5 02 00 00
{72} normal block at 0x000002D5D343DCB0, 16 bytes long.
Data: < ê ÷ > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D5D343E7A0, 16 bytes long.
Data: <@é ÷ > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002D5D343DDF0, 16 bytes long.
Data: <øW• ÷ > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002D5D343DA80, 16 bytes long.
Data: <ØW• ÷ > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D5D343DBC0, 16 bytes long.
Data: <P • ÷ > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D5D343E610, 16 bytes long.
Data: <0 • ÷ > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D5D343E5C0, 16 bytes long.
Data: <à • ÷ > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D5D343E570, 16 bytes long.
Data: < • ÷ > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D5D343E2F0, 16 bytes long.
Data: <p • ÷ > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D5D343DFD0, 16 bytes long.
Data: < À“ ÷ > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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