Task 38688176
| Name | test_531-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND2848_0 |
| Workunit | 31629540 |
| Created | 28 Oct 2026, 12:09:26 UTC |
| Sent | 28 Oct 2026, 12:09:30 UTC |
| Report deadline | 2 Nov 2026, 12:09:30 UTC |
| Received | 28 Oct 2026, 12:50:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 30 min 18 sec |
| CPU time | 22 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.48 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:20:03 (7652): wrapper (7.9.26016): starting
05:20:03 (7652): 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
05:20:04 (7652): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:20:04 (7652): 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\1\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\1\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
05:49:31 (7652): C:/Windows/system32/cmd.exe exited; CPU time 1326.265625
05:49:31 (7652): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 21003109 bytes.
Dumping objects ->
{3835569} normal block at 0x0000017F4983C7B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x0000017F47B24830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x0000017F47B24750, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x0000017F47B24600, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x0000017F47B24520, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x0000017F4988AF70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x0000017F47B49E10, 155 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) : {3835480} normal block at 0x0000017F47B1E6E0, 8 bytes long.
Data: < þG > 00 00 FE 47 7F 01 00 00
{3834699} normal block at 0x0000017F47B49710, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000017F47B1E050, 8 bytes long.
Data: <ÀÛlI > C0 DB 6C 49 7F 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000017F47B202A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000017F47B15B70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000017F47B24C90, 16 bytes long.
Data: <(_²G > 28 5F B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017F47B25780, 16 bytes long.
Data: < _²G > 00 5F B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017F47B1F0B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000017F47B25640, 16 bytes long.
Data: <Ø^²G > D8 5E B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017F47B256E0, 16 bytes long.
Data: <°^²G > B0 5E B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017F47B24F60, 16 bytes long.
Data: < ^²G > 88 5E B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017F47B25AA0, 16 bytes long.
Data: <`^²G > 60 5E B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017F47B242F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000017F47B24F10, 16 bytes long.
Data: < ݱG > 88 DD B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017F47B1FBF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000017F47B24E70, 16 bytes long.
Data: <`ݱG > 60 DD B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017F47B255F0, 16 bytes long.
Data: <8ݱG > 38 DD B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017F47B258C0, 16 bytes long.
Data: < ݱG > 10 DD B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017F47B25690, 16 bytes long.
Data: <èܱG > E8 DC B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017F47B25050, 16 bytes long.
Data: <ÀܱG > C0 DC B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017F47B25140, 16 bytes long.
Data: < ܱG > 98 DC B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017F47B1F2F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000017F47B250F0, 16 bytes long.
Data: <pܱG > 70 DC B1 47 7F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017F47B1DC70, 320 bytes long.
Data: <ðP²G ðò±G > F0 50 B2 47 7F 01 00 00 F0 F2 B1 47 7F 01 00 00
{276} normal block at 0x0000017F47B24D80, 16 bytes long.
Data: <@^²G > 40 5E B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017F47B253C0, 16 bytes long.
Data: < ^²G > 18 5E B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017F47B1F350, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000017F47B24E20, 16 bytes long.
Data: <ð]²G > F0 5D B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017F47B1F050, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000017F47B25460, 16 bytes long.
Data: <8]²G > 38 5D B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017F47B25280, 16 bytes long.
Data: < ]²G > 10 5D B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017F47B24EC0, 16 bytes long.
Data: <è\²G > E8 5C B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017F47B25410, 16 bytes long.
Data: <À\²G > C0 5C B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017F47B25870, 16 bytes long.
Data: < \²G > 98 5C B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017F47B25AF0, 16 bytes long.
Data: <p\²G > 70 5C B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017F47B25550, 16 bytes long.
Data: <pF²G > 70 46 B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017F47B24670, 40 bytes long.
Data: <PU²G p¯ I > 50 55 B2 47 7F 01 00 00 70 AF 88 49 7F 01 00 00
{262} normal block at 0x0000017F47B25320, 16 bytes long.
Data: <P\²G > 50 5C B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017F47B255A0, 16 bytes long.
Data: <(\²G > 28 5C B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017F47B1FB90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000017F47B25370, 16 bytes long.
Data: < \²G > 00 5C B2 47 7F 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000017F47B25C00, 992 bytes long.
Data: <pS²G û±G > 70 53 B2 47 7F 01 00 00 90 FB B1 47 7F 01 00 00
{94} normal block at 0x0000017F47B1EFF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000017F47B1E320, 16 bytes long.
Data: <àï°G > E0 EF B0 47 7F 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000017F47B0EFE0, 40 bytes long.
Data: < ã±G ðï±G > 20 E3 B1 47 7F 01 00 00 F0 EF B1 47 7F 01 00 00
{71} normal block at 0x0000017F47B1E910, 16 bytes long.
Data: < ê#A÷ > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017F47B1E410, 16 bytes long.
Data: <@é#A÷ > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017F47B1E690, 16 bytes long.
Data: <øW A÷ > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017F47B1E000, 16 bytes long.
Data: <ØW A÷ > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017F47B1EC80, 16 bytes long.
Data: <P A÷ > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017F47B1E960, 16 bytes long.
Data: <0 A÷ > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017F47B1E870, 16 bytes long.
Data: <à A÷ > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017F47B1EB90, 16 bytes long.
Data: < A÷ > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000017F47B1E7D0, 16 bytes long.
Data: <p A÷ > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000017F47B1E500, 16 bytes long.
Data: < À A÷ > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra