Task 38689615
| Name | test_747-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7757_0 |
| Workunit | 31630852 |
| Created | 28 Oct 2026, 22:17:51 UTC |
| Sent | 28 Oct 2026, 22:17:54 UTC |
| Report deadline | 2 Nov 2026, 22:17:54 UTC |
| Received | 28 Oct 2026, 22:51:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 32 min 57 sec |
| CPU time | 20 min 54 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 | 749.58 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:19:02 (25136): wrapper (7.9.26016): starting
15:19:02 (25136): 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
15:19:11 (25136): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:19:11 (25136): 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\2\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\2\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
15:50:56 (25136): C:/Windows/system32/cmd.exe exited; CPU time 1254.093750
15:50:56 (25136): 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: 21545239 bytes.
Dumping objects ->
{3835570} normal block at 0x000002843E2FC070, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835559} normal block at 0x000002843C534900, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x000002843C534890, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835537} normal block at 0x000002843C534820, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835526} normal block at 0x000002843C5347B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835495} normal block at 0x000002843E3481C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835484} normal block at 0x000002843C559700, 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 0x000002843C52E4A0, 8 bytes long.
Data: < º<„ > 00 00 BA 3C 84 02 00 00
{3834699} normal block at 0x000002843C559E00, 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 0x000002843C52E400, 8 bytes long.
Data: <`K=>„ > 60 4B 3D 3E 84 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002843C530290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002843C525AD0, 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 0x000002843C535180, 16 bytes long.
Data: < _S<„ > 18 5F 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002843C535630, 16 bytes long.
Data: <ð^S<„ > F0 5E 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002843C52FDC0, 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 0x000002843C535A90, 16 bytes long.
Data: <È^S<„ > C8 5E 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002843C535040, 16 bytes long.
Data: < ^S<„ > A0 5E 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002843C5355E0, 16 bytes long.
Data: <x^S<„ > 78 5E 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002843C535130, 16 bytes long.
Data: <P^S<„ > 50 5E 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002843C5343C0, 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 0x000002843C534FF0, 16 bytes long.
Data: <xÝR<„ > 78 DD 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002843C52FA60, 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 0x000002843C535540, 16 bytes long.
Data: <PÝR<„ > 50 DD 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002843C5351D0, 16 bytes long.
Data: <(ÝR<„ > 28 DD 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002843C535A40, 16 bytes long.
Data: < ÝR<„ > 00 DD 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002843C534F50, 16 bytes long.
Data: <ØÜR<„ > D8 DC 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002843C534FA0, 16 bytes long.
Data: <°ÜR<„ > B0 DC 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002843C535590, 16 bytes long.
Data: < ÜR<„ > 88 DC 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002843C52EF80, 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 0x000002843C534EB0, 16 bytes long.
Data: <`ÜR<„ > 60 DC 52 3C 84 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002843C52DC60, 320 bytes long.
Data: <°NS<„ ïR<„ > B0 4E 53 3C 84 02 00 00 80 EF 52 3C 84 02 00 00
{276} normal block at 0x000002843C535310, 16 bytes long.
Data: <0^S<„ > 30 5E 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002843C534F00, 16 bytes long.
Data: < ^S<„ > 08 5E 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002843C52F340, 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 0x000002843C5350E0, 16 bytes long.
Data: <à]S<„ > E0 5D 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002843C52FB20, 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 0x000002843C5359A0, 16 bytes long.
Data: <(]S<„ > 28 5D 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002843C534D70, 16 bytes long.
Data: < ]S<„ > 00 5D 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002843C535450, 16 bytes long.
Data: <Ø\S<„ > D8 5C 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002843C5354F0, 16 bytes long.
Data: <°\S<„ > B0 5C 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002843C535220, 16 bytes long.
Data: < \S<„ > 88 5C 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002843C534CD0, 16 bytes long.
Data: <`\S<„ > 60 5C 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002843C534E10, 16 bytes long.
Data: < ES<„ > 80 45 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002843C534580, 40 bytes long.
Data: < NS<„ À 4>„ > 10 4E 53 3C 84 02 00 00 C0 81 34 3E 84 02 00 00
{262} normal block at 0x000002843C5354A0, 16 bytes long.
Data: <@\S<„ > 40 5C 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002843C535810, 16 bytes long.
Data: < \S<„ > 18 5C 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002843C52F580, 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 0x000002843C535400, 16 bytes long.
Data: <ð[S<„ > F0 5B 53 3C 84 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002843C535BF0, 992 bytes long.
Data: < TS<„ õR<„ > 00 54 53 3C 84 02 00 00 80 F5 52 3C 84 02 00 00
{94} normal block at 0x000002843C52FCA0, 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 0x000002843C52E7C0, 16 bytes long.
Data: <°ïQ<„ > B0 EF 51 3C 84 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002843C51EFB0, 40 bytes long.
Data: <ÀçR<„  üR<„ > C0 E7 52 3C 84 02 00 00 A0 FC 52 3C 84 02 00 00
{71} normal block at 0x000002843C52DEB0, 16 bytes long.
Data: < ê9•ö > 80 EA 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002843C52E0E0, 16 bytes long.
Data: <@é9•ö > 40 E9 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002843C52ED60, 16 bytes long.
Data: <øW6•ö > F8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002843C52DF50, 16 bytes long.
Data: <ØW6•ö > D8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002843C52E310, 16 bytes long.
Data: <P 6•ö > 50 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002843C52DFF0, 16 bytes long.
Data: <0 6•ö > 30 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002843C52EB30, 16 bytes long.
Data: <à 6•ö > E0 02 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002843C52E040, 16 bytes long.
Data: < 6•ö > 10 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002843C52DFA0, 16 bytes long.
Data: <p 6•ö > 70 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002843C52E090, 16 bytes long.
Data: < À4•ö > 18 C0 34 95 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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