Task 38665903
| Name | test_362-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND6100_0 |
| Workunit | 31608947 |
| Created | 25 Oct 2026, 1:44:36 UTC |
| Sent | 25 Oct 2026, 2:20:26 UTC |
| Report deadline | 30 Oct 2026, 2:20:26 UTC |
| Received | 25 Oct 2026, 7:05:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654590 |
| Run time | 1 hours 4 min 55 sec |
| CPU time | 58 min 51 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 | 732.35 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>
23:00:54 (3540): wrapper (7.9.26016): starting
23:00:54 (3540): 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
23:01:02 (3540): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:01:02 (3540): 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
00:04:19 (3540): C:/Windows/system32/cmd.exe exited; CPU time 3531.328125
00:04:19 (3540): 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: 59956771 bytes.
Dumping objects ->
{3835449} normal block at 0x000002EA92B4A3E0, 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 0x000002EA92B24190, 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 0x000002EA92B24120, 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 0x000002EA92B243C0, 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 0x000002EA92B24040, 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 0x000002EA9476BEC0, 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 0x000002EA92B7C070, 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 0x000002EA92B1EAD0, 8 bytes long.
Data: < «’ê > 00 00 AB 92 EA 02 00 00
{3834646} normal block at 0x000002EA92B7CD70, 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 0x000002EA92B1EEE0, 8 bytes long.
Data: < æ¿’ê > 00 E6 BF 92 EA 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002EA92B1FAE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002EA92B156A0, 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 0x000002EA92B25020, 16 bytes long.
Data: < K²’ê > 18 4B B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002EA92B25160, 16 bytes long.
Data: <ðJ²’ê > F0 4A B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002EA92B1E780, 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 0x000002EA92B24C60, 16 bytes long.
Data: <ÈJ²’ê > C8 4A B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002EA92B250C0, 16 bytes long.
Data: < J²’ê > A0 4A B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002EA92B25750, 16 bytes long.
Data: <xJ²’ê > 78 4A B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002EA92B25200, 16 bytes long.
Data: <PJ²’ê > 50 4A B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002EA92B24200, 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 0x000002EA92B25B60, 16 bytes long.
Data: < …±’ê > 08 85 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002EA92B1E720, 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 0x000002EA92B24EE0, 16 bytes long.
Data: <à„±’ê > E0 84 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002EA92B25480, 16 bytes long.
Data: <¸„±’ê > B8 84 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002EA92B25890, 16 bytes long.
Data: < „±’ê > 90 84 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002EA92B24F30, 16 bytes long.
Data: <h„±’ê > 68 84 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002EA92B25340, 16 bytes long.
Data: <@„±’ê > 40 84 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002EA92B25980, 16 bytes long.
Data: < „±’ê > 18 84 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002EA92B1DF40, 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 0x000002EA92B24CB0, 16 bytes long.
Data: <ðƒ±’ê > F0 83 B1 92 EA 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002EA92B183F0, 320 bytes long.
Data: <°L²’ê @ß±’ê > B0 4C B2 92 EA 02 00 00 40 DF B1 92 EA 02 00 00
{272} normal block at 0x000002EA92B24E90, 16 bytes long.
Data: <0J²’ê > 30 4A B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002EA92B25570, 16 bytes long.
Data: < J²’ê > 08 4A B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002EA92B1DFA0, 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 0x000002EA92B25840, 16 bytes long.
Data: <àI²’ê > E0 49 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002EA92B1E600, 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 0x000002EA92B25110, 16 bytes long.
Data: <(I²’ê > 28 49 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002EA92B251B0, 16 bytes long.
Data: < I²’ê > 00 49 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002EA92B257F0, 16 bytes long.
Data: <ØH²’ê > D8 48 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002EA92B1F070, 16 bytes long.
Data: <°H²’ê > B0 48 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002EA92B1EE90, 16 bytes long.
Data: < H²’ê > 88 48 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002EA92B1EE40, 16 bytes long.
Data: <`H²’ê > 60 48 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002EA92B1EDF0, 16 bytes long.
Data: < D²’ê > A0 44 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002EA92B244A0, 40 bytes long.
Data: <ðí±’ê À¾v”ê > F0 ED B1 92 EA 02 00 00 C0 BE 76 94 EA 02 00 00
{258} normal block at 0x000002EA92B1F9D0, 16 bytes long.
Data: <@H²’ê > 40 48 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002EA92B1EC60, 16 bytes long.
Data: < H²’ê > 18 48 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002EA92B1E5A0, 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 0x000002EA92B1F890, 16 bytes long.
Data: <ðG²’ê > F0 47 B2 92 EA 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002EA92B247F0, 992 bytes long.
Data: < ø±’ê  å±’ê > 90 F8 B1 92 EA 02 00 00 A0 E5 B1 92 EA 02 00 00
{90} normal block at 0x000002EA92B1E0C0, 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 0x000002EA92B1F840, 16 bytes long.
Data: < Æ°’ê > A0 C6 B0 92 EA 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002EA92B0C6A0, 40 bytes long.
Data: <@ø±’ê Àà±’ê > 40 F8 B1 92 EA 02 00 00 C0 E0 B1 92 EA 02 00 00
{67} normal block at 0x000002EA92B1EB20, 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 0x000002EA92B1F750, 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 0x000002EA92B1F660, 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 0x000002EA92B1F8E0, 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 0x000002EA92B1F2F0, 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 0x000002EA92B1F700, 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 0x000002EA92B1F7A0, 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 0x000002EA92B1F480, 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 0x000002EA92B1F340, 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 0x000002EA92B1F250, 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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