Task 38667021
| Name | test_467-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2927_0 |
| Workunit | 31609720 |
| Created | 25 Oct 2026, 5:59:09 UTC |
| Sent | 25 Oct 2026, 5:59:26 UTC |
| Report deadline | 30 Oct 2026, 5:59:26 UTC |
| Received | 25 Oct 2026, 19:44:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654590 |
| Run time | 1 hours 4 min 35 sec |
| CPU time | 58 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,317.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.30 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:41:35 (17036): wrapper (7.9.26016): starting
11:41:35 (17036): 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
11:41:42 (17036): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:41:42 (17036): 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
12:44:28 (17036): C:/Windows/system32/cmd.exe exited; CPU time 3502.937500
12:44:28 (17036): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 59522775 bytes.
Dumping objects ->
{3835449} normal block at 0x000002485DFA9C00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835438} normal block at 0x000002485DF84510, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x000002485DF844A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835416} normal block at 0x000002485DF842E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835405} normal block at 0x000002485DF84270, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835374} normal block at 0x000002485FC5CAC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835363} normal block at 0x000002485DFDC7C0, 140 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) : {3835360} normal block at 0x000002485DF7F4D0, 8 bytes long.
Data: < @^H > 00 00 40 5E 48 02 00 00
{3834646} normal block at 0x000002485DFDCBD0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000002485DF7F480, 8 bytes long.
Data: < æ ^H > 00 E6 05 5E 48 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002485DF804E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002485DF754F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000002485DF85750, 16 bytes long.
Data: < Kø]H > 18 4B F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002485DF855C0, 16 bytes long.
Data: <ðJø]H > F0 4A F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002485DF7E4E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002485DF84EE0, 16 bytes long.
Data: <ÈJø]H > C8 4A F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002485DF859D0, 16 bytes long.
Data: < Jø]H > A0 4A F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002485DF854D0, 16 bytes long.
Data: <xJø]H > 78 4A F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002485DF84D50, 16 bytes long.
Data: <PJø]H > 50 4A F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002485DF84580, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002485DF84E90, 16 bytes long.
Data: < …÷]H > 08 85 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002485DF7E480, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002485DF84C60, 16 bytes long.
Data: <à„÷]H > E0 84 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002485DF84D00, 16 bytes long.
Data: <¸„÷]H > B8 84 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002485DF84DF0, 16 bytes long.
Data: < „÷]H > 90 84 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002485DF85430, 16 bytes long.
Data: <h„÷]H > 68 84 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002485DF858E0, 16 bytes long.
Data: <@„÷]H > 40 84 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002485DF85700, 16 bytes long.
Data: < „÷]H > 18 84 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002485DF7DB80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000002485DF84F80, 16 bytes long.
Data: <ðƒ÷]H > F0 83 F7 5D 48 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002485DF783F0, 320 bytes long.
Data: < Oø]H Û÷]H > 80 4F F8 5D 48 02 00 00 80 DB F7 5D 48 02 00 00
{272} normal block at 0x000002485DF856B0, 16 bytes long.
Data: <0Jø]H > 30 4A F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002485DF85A20, 16 bytes long.
Data: < Jø]H > 08 4A F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002485DF7DB20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000002485DF85980, 16 bytes long.
Data: <àIø]H > E0 49 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002485DF7E120, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002485DF85BB0, 16 bytes long.
Data: <(Iø]H > 28 49 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002485DF85480, 16 bytes long.
Data: < Iø]H > 00 49 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002485DF85250, 16 bytes long.
Data: <ØHø]H > D8 48 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002485DF7F700, 16 bytes long.
Data: <°Hø]H > B0 48 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002485DF7F610, 16 bytes long.
Data: < Hø]H > 88 48 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002485DF7F5C0, 16 bytes long.
Data: <`Hø]H > 60 48 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002485DF7EDA0, 16 bytes long.
Data: <PCø]H > 50 43 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002485DF84350, 40 bytes long.
Data: < í÷]H ÀÊÅ_H > A0 ED F7 5D 48 02 00 00 C0 CA C5 5F 48 02 00 00
{258} normal block at 0x000002485DF7F520, 16 bytes long.
Data: <@Hø]H > 40 48 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002485DF7F430, 16 bytes long.
Data: < Hø]H > 18 48 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002485DF7E7E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002485DF7EC10, 16 bytes long.
Data: <ðGø]H > F0 47 F8 5D 48 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002485DF847F0, 992 bytes long.
Data: < ì÷]H àç÷]H > 10 EC F7 5D 48 02 00 00 E0 E7 F7 5D 48 02 00 00
{90} normal block at 0x000002485DF7E060, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002485DF7F3E0, 16 bytes long.
Data: < Æö]H > A0 C6 F6 5D 48 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002485DF6C6A0, 40 bytes long.
Data: <àó÷]H `à÷]H > E0 F3 F7 5D 48 02 00 00 60 E0 F7 5D 48 02 00 00
{67} normal block at 0x000002485DF7FA20, 16 bytes long.
Data: < ê\7÷ > 80 EA 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002485DF7EF80, 16 bytes long.
Data: <@é\7÷ > 40 E9 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002485DF7F660, 16 bytes long.
Data: <øWY7÷ > F8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002485DF7EB70, 16 bytes long.
Data: <ØWY7÷ > D8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002485DF7F390, 16 bytes long.
Data: <P Y7÷ > 50 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002485DF7F2F0, 16 bytes long.
Data: <0 Y7÷ > 30 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002485DF7F890, 16 bytes long.
Data: <à Y7÷ > E0 02 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002485DF7F840, 16 bytes long.
Data: < Y7÷ > 10 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002485DF7EAD0, 16 bytes long.
Data: <p Y7÷ > 70 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002485DF7F2A0, 16 bytes long.
Data: < ÀW7÷ > 18 C0 57 37 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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