Task 38696162
| Name | test_521-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND0259_0 |
| Workunit | 31636810 |
| Created | 31 Oct 2026, 19:59:39 UTC |
| Sent | 31 Oct 2026, 19:59:43 UTC |
| Report deadline | 5 Nov 2026, 19:59:43 UTC |
| Received | 31 Oct 2026, 20:58:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 512671 |
| Run time | 29 min 18 sec |
| CPU time | 26 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.75 MB |
| Peak swap size | 9.82 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:30:20 (296108): wrapper (7.9.26016): starting
16:30:20 (296108): 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
16:30:21 (296108): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:30:21 (296108): 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\24\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\24\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
16:58:22 (296108): C:/Windows/system32/cmd.exe exited; CPU time 1603.500000
16:58:22 (296108): 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: 42592007 bytes.
Dumping objects ->
{3835263} normal block at 0x000001B119C0DC00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835252} normal block at 0x000001B117F05A10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835241} normal block at 0x000001B117F05930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835230} normal block at 0x000001B117F05850, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000001B117F05700, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835188} normal block at 0x000001B119C594C0, 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) : {3835175} normal block at 0x000001B117EFE0F0, 8 bytes long.
Data: < í ± > 00 00 ED 17 B1 01 00 00
{3833965} normal block at 0x000001B117EFE4B0, 8 bytes long.
Data: < Ýî ± > 00 DD EE 17 B1 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B117F01A10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B117EF7190, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001B117F06830, 16 bytes long.
Data: < rð ± > 08 72 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B117F05FC0, 16 bytes long.
Data: <àqð ± > E0 71 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B117F00360, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001B117F06880, 16 bytes long.
Data: <¸qð ± > B8 71 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B117F06010, 16 bytes long.
Data: < qð ± > 90 71 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B117F061F0, 16 bytes long.
Data: <hqð ± > 68 71 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B117F06650, 16 bytes long.
Data: <@qð ± > 40 71 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B117F05310, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001B117F06560, 16 bytes long.
Data: < –ï ± > 88 96 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B117EFFCA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001B117F06E20, 16 bytes long.
Data: <`–ï ± > 60 96 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B117F06510, 16 bytes long.
Data: <8–ï ± > 38 96 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B117F061A0, 16 bytes long.
Data: < –ï ± > 10 96 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B117F06290, 16 bytes long.
Data: <è•ï ± > E8 95 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B117F06BF0, 16 bytes long.
Data: <À•ï ± > C0 95 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B117F068D0, 16 bytes long.
Data: < •ï ± > 98 95 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B117F00060, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001B117F06970, 16 bytes long.
Data: <p•ï ± > 70 95 EF 17 B1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B117EF9570, 320 bytes long.
Data: <pið ± ` ð ± > 70 69 F0 17 B1 01 00 00 60 00 F0 17 B1 01 00 00
{278} normal block at 0x000001B117F06100, 16 bytes long.
Data: < qð ± > 20 71 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B117F064C0, 16 bytes long.
Data: <øpð ± > F8 70 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B117F00000, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001B117F06BA0, 16 bytes long.
Data: <Ðpð ± > D0 70 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B117F00300, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001B117F067E0, 16 bytes long.
Data: < pð ± > 18 70 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B117F06B50, 16 bytes long.
Data: <ðoð ± > F0 6F F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B117F06A10, 16 bytes long.
Data: <Èoð ± > C8 6F F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B117F06470, 16 bytes long.
Data: < oð ± > A0 6F F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B117F06C90, 16 bytes long.
Data: <xoð ± > 78 6F F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B117F06E70, 16 bytes long.
Data: <Poð ± > 50 6F F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B117F06B00, 16 bytes long.
Data: <`Tð ± > 60 54 F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B117F05460, 40 bytes long.
Data: < kð ± À”Å ± > 00 6B F0 17 B1 01 00 00 C0 94 C5 19 B1 01 00 00
{264} normal block at 0x000001B117F06600, 16 bytes long.
Data: <0oð ± > 30 6F F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B117F066A0, 16 bytes long.
Data: < oð ± > 08 6F F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B117EFFD60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001B117F06AB0, 16 bytes long.
Data: <ànð ± > E0 6E F0 17 B1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B117F06EE0, 992 bytes long.
Data: <°jð ± `ýï ± > B0 6A F0 17 B1 01 00 00 60 FD EF 17 B1 01 00 00
{96} normal block at 0x000001B117EFFD00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001B117EFDB00, 16 bytes long.
Data: <`Øî ± > 60 D8 EE 17 B1 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001B117EED860, 40 bytes long.
Data: < Ûï ± ýï ± > 00 DB EF 17 B1 01 00 00 00 FD EF 17 B1 01 00 00
{73} normal block at 0x000001B117EFE140, 16 bytes long.
Data: < ê~À÷ > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B117EFDFB0, 16 bytes long.
Data: <@é~À÷ > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B117EFE1E0, 16 bytes long.
Data: <øW{À÷ > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B117EFD970, 16 bytes long.
Data: <ØW{À÷ > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B117EFDD30, 16 bytes long.
Data: <P {À÷ > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B117EFDF60, 16 bytes long.
Data: <0 {À÷ > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B117EFE460, 16 bytes long.
Data: <à {À÷ > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B117EFE2D0, 16 bytes long.
Data: < {À÷ > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B117EFE0A0, 16 bytes long.
Data: <p {À÷ > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B117EFE410, 16 bytes long.
Data: < ÀyÀ÷ > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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