Task 38678626
| Name | test_635-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6699_0 |
| Workunit | 31620438 |
| Created | 26 Oct 2026, 17:59:42 UTC |
| Sent | 26 Oct 2026, 17:59:44 UTC |
| Report deadline | 31 Oct 2026, 17:59:44 UTC |
| Received | 26 Oct 2026, 18:30:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640448 |
| Run time | 29 min 1 sec |
| CPU time | 27 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 767.30 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.99 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:01:39 (520): wrapper (7.9.26016): starting
19:01:39 (520): 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
19:01:40 (520): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:01:40 (520): 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\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 'C:\ProgramData\BOINC\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
19:29:46 (520): C:/Windows/system32/cmd.exe exited; CPU time 1650.156250
19:29:46 (520): 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: 24537867 bytes.
Dumping objects ->
{3835418} normal block at 0x000001FF60803CB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835407} normal block at 0x000001FF60803C40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835396} normal block at 0x000001FF60803A80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835385} normal block at 0x000001FF60803EE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835374} normal block at 0x000001FF60803E00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835343} normal block at 0x000001FF62583900, 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) : {3835330} normal block at 0x000001FF607FEFA0, 8 bytes long.
Data: < x`ÿ > 00 00 78 60 FF 01 00 00
{3833957} normal block at 0x000001FF607FEA50, 8 bytes long.
Data: <00abÿ > 30 30 61 62 FF 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FF60800E30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FF607F5A40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001FF60804FF0, 16 bytes long.
Data: <(Y `ÿ > 28 59 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FF60804640, 16 bytes long.
Data: < Y `ÿ > 00 59 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FF607FF5A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001FF60804A50, 16 bytes long.
Data: <ØX `ÿ > D8 58 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FF60804E60, 16 bytes long.
Data: <°X `ÿ > B0 58 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FF60805360, 16 bytes long.
Data: < X `ÿ > 88 58 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FF60805310, 16 bytes long.
Data: <`X `ÿ > 60 58 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FF607ED960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001FF60804870, 16 bytes long.
Data: <¸ó~`ÿ > B8 F3 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FF607FF840, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001FF60804E10, 16 bytes long.
Data: < ó~`ÿ > 90 F3 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FF60804A00, 16 bytes long.
Data: <hó~`ÿ > 68 F3 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FF60804910, 16 bytes long.
Data: <@ó~`ÿ > 40 F3 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FF60805590, 16 bytes long.
Data: < ó~`ÿ > 18 F3 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FF60804780, 16 bytes long.
Data: <ðò~`ÿ > F0 F2 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FF60805040, 16 bytes long.
Data: <Èò~`ÿ > C8 F2 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FF607FF300, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001FF608052C0, 16 bytes long.
Data: < ò~`ÿ > A0 F2 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FF607EF2A0, 320 bytes long.
Data: <ÀR `ÿ ó `ÿ > C0 52 80 60 FF 01 00 00 00 F3 7F 60 FF 01 00 00
{274} normal block at 0x000001FF608048C0, 16 bytes long.
Data: <@X `ÿ > 40 58 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FF608054A0, 16 bytes long.
Data: < X `ÿ > 18 58 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FF607FF780, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001FF608049B0, 16 bytes long.
Data: <ðW `ÿ > F0 57 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FF607FFD20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001FF608053B0, 16 bytes long.
Data: <8W `ÿ > 38 57 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FF60804FA0, 16 bytes long.
Data: < W `ÿ > 10 57 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FF60804BE0, 16 bytes long.
Data: <èV `ÿ > E8 56 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FF60805270, 16 bytes long.
Data: <ÀV `ÿ > C0 56 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FF60804820, 16 bytes long.
Data: < V `ÿ > 98 56 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FF60804DC0, 16 bytes long.
Data: <pV `ÿ > 70 56 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FF60805450, 16 bytes long.
Data: <`Ç~`ÿ > 60 C7 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FF607EC760, 40 bytes long.
Data: <PT `ÿ 9Xbÿ > 50 54 80 60 FF 01 00 00 00 39 58 62 FF 01 00 00
{260} normal block at 0x000001FF60805540, 16 bytes long.
Data: <PV `ÿ > 50 56 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FF60805220, 16 bytes long.
Data: <(V `ÿ > 28 56 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FF607FFC00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001FF60805400, 16 bytes long.
Data: < V `ÿ > 00 56 80 60 FF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FF60805600, 992 bytes long.
Data: < T `ÿ ü `ÿ > 00 54 80 60 FF 01 00 00 00 FC 7F 60 FF 01 00 00
{92} normal block at 0x000001FF607FFC60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001FF607FED20, 16 bytes long.
Data: < Ó~`ÿ > 20 D3 7E 60 FF 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001FF607ED320, 40 bytes long.
Data: < í `ÿ `ü `ÿ > 20 ED 7F 60 FF 01 00 00 60 FC 7F 60 FF 01 00 00
{69} normal block at 0x000001FF607FEEB0, 16 bytes long.
Data: < êPiö > 80 EA 50 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FF607FE460, 16 bytes long.
Data: <@éPiö > 40 E9 50 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FF607FE280, 16 bytes long.
Data: <øWMiö > F8 57 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FF607FE960, 16 bytes long.
Data: <ØWMiö > D8 57 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FF607FE870, 16 bytes long.
Data: <P Miö > 50 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FF607FEC30, 16 bytes long.
Data: <0 Miö > 30 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FF607FE230, 16 bytes long.
Data: <à Miö > E0 02 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FF607FEC80, 16 bytes long.
Data: < Miö > 10 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FF607FE050, 16 bytes long.
Data: <p Miö > 70 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FF607FE780, 16 bytes long.
Data: < ÀKiö > 18 C0 4B 69 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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