Task 38675778
| Name | test_906-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9325_0 |
| Workunit | 31617728 |
| Created | 26 Oct 2026, 9:16:41 UTC |
| Sent | 26 Oct 2026, 9:16:47 UTC |
| Report deadline | 31 Oct 2026, 9:16:47 UTC |
| Received | 26 Oct 2026, 11:27:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653612 |
| Run time | 1 hours 28 min 43 sec |
| CPU time | 1 hours 21 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,141.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 638.73 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:59:14 (5628): wrapper (7.9.26016): starting
17:59:14 (5628): 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
17:59:37 (5628): Library/usr/bin/tar.exe exited; CPU time 0.093750
17:59:37 (5628): 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
19:26:59 (5628): C:/Windows/system32/cmd.exe exited; CPU time 4919.281250
19:26:59 (5628): 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: 68899691 bytes.
Dumping objects ->
{3835525} normal block at 0x00000239F1434520, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835514} normal block at 0x00000239EF584940, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x00000239EF5847F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835492} normal block at 0x00000239EF584860, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x00000239EF5848D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835450} normal block at 0x00000239F13A8D50, 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) : {3835437} normal block at 0x00000239EF580BD0, 8 bytes long.
Data: < 9 > 00 00 A5 EF 39 02 00 00
{3834053} normal block at 0x00000239EF580E50, 8 bytes long.
Data: < K@ 9 > C0 4B 40 F1 39 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000239EF57F1F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000239EF5752E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000239EF5858F0, 16 bytes long.
Data: < TX 9 > 88 54 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000239EF585760, 16 bytes long.
Data: <`TX 9 > 60 54 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000239EF57F680, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000239EF586520, 16 bytes long.
Data: <8TX 9 > 38 54 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000239EF585B20, 16 bytes long.
Data: < TX 9 > 10 54 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000239EF585A80, 16 bytes long.
Data: < SX 9 > E8 53 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000239EF585E90, 16 bytes long.
Data: < SX 9 > C0 53 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000239EF584A90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000239EF5860C0, 16 bytes long.
Data: <x W 9 > 78 8B 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000239EF57FE60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000239EF585E40, 16 bytes long.
Data: <P W 9 > 50 8B 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000239EF585940, 16 bytes long.
Data: <( W 9 > 28 8B 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000239EF585D00, 16 bytes long.
Data: < W 9 > 00 8B 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000239EF586200, 16 bytes long.
Data: < W 9 > D8 8A 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000239EF586070, 16 bytes long.
Data: < W 9 > B0 8A 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000239EF585D50, 16 bytes long.
Data: < W 9 > 88 8A 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000239EF5802E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000239EF585AD0, 16 bytes long.
Data: <` W 9 > 60 8A 57 EF 39 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000239EF578A60, 320 bytes long.
Data: < ZX 9 X 9 > D0 5A 58 EF 39 02 00 00 E0 02 58 EF 39 02 00 00
{275} normal block at 0x00000239EF585710, 16 bytes long.
Data: < SX 9 > A0 53 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000239EF5856C0, 16 bytes long.
Data: <xSX 9 > 78 53 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000239EF580280, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000239EF585670, 16 bytes long.
Data: <PSX 9 > 50 53 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000239EF57FA40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000239EF586430, 16 bytes long.
Data: < RX 9 > 98 52 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000239EF585CB0, 16 bytes long.
Data: <pRX 9 > 70 52 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000239EF5858A0, 16 bytes long.
Data: <HRX 9 > 48 52 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000239EF5863E0, 16 bytes long.
Data: < RX 9 > 20 52 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000239EF580EF0, 16 bytes long.
Data: < QX 9 > F8 51 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000239EF580EA0, 16 bytes long.
Data: < QX 9 > D0 51 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000239EF580C20, 16 bytes long.
Data: < KX 9 > 00 4B 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000239EF584B00, 40 bytes long.
Data: < X 9 P : 9 > 20 0C 58 EF 39 02 00 00 50 8D 3A F1 39 02 00 00
{261} normal block at 0x00000239EF5807C0, 16 bytes long.
Data: < QX 9 > B0 51 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000239EF581120, 16 bytes long.
Data: < QX 9 > 88 51 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000239EF57F800, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000239EF580B80, 16 bytes long.
Data: <`QX 9 > 60 51 58 EF 39 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000239EF585160, 992 bytes long.
Data: < X 9 W 9 > 80 0B 58 EF 39 02 00 00 00 F8 57 EF 39 02 00 00
{93} normal block at 0x00000239EF57FB60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000239EF5804F0, 16 bytes long.
Data: <@ V 9 > 40 B4 56 EF 39 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000239EF56B440, 40 bytes long.
Data: < X 9 ` W 9 > F0 04 58 EF 39 02 00 00 60 FB 57 EF 39 02 00 00
{68} normal block at 0x00000239EF5809F0, 16 bytes long.
Data: < a> > 80 EA 61 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000239EF581210, 16 bytes long.
Data: <@ a> > 40 E9 61 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000239EF580630, 16 bytes long.
Data: < W^> > F8 57 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000239EF5809A0, 16 bytes long.
Data: < W^> > D8 57 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000239EF580810, 16 bytes long.
Data: <P ^> > 50 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000239EF580F40, 16 bytes long.
Data: <0 ^> > 30 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000239EF5811C0, 16 bytes long.
Data: < ^> > E0 02 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000239EF580900, 16 bytes long.
Data: < ^> > 10 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000239EF580CC0, 16 bytes long.
Data: <p ^> > 70 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000239EF580450, 16 bytes long.
Data: < \> > 18 C0 5C 3E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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