Task 38679454
| Name | test_691-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5794_0 |
| Workunit | 31621228 |
| Created | 26 Oct 2026, 20:37:22 UTC |
| Sent | 26 Oct 2026, 20:37:25 UTC |
| Report deadline | 31 Oct 2026, 20:37:25 UTC |
| Received | 26 Oct 2026, 22:07:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623100 |
| Run time | 24 min 59 sec |
| CPU time | 23 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 778.64 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:42:41 (20896): wrapper (7.9.26016): starting
23:42:41 (20896): 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
23:42:43 (20896): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:42:43 (20896): 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\1\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\1\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
00:06:53 (20896): C:/Windows/system32/cmd.exe exited; CPU time 1394.843750
00:06:53 (20896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22468849 bytes.
Dumping objects ->
{3835317} normal block at 0x0000021B86E26BA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835306} normal block at 0x0000021B86E26AC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835295} normal block at 0x0000021B86E26D60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835284} normal block at 0x0000021B86E269E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835273} normal block at 0x0000021B86E26900, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835242} normal block at 0x0000021B88BF9050, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x0000021B88C10460, 102 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) : {3835228} normal block at 0x0000021B86E1ECD0, 8 bytes long.
Data: < 1‡ > 00 00 31 87 1B 02 00 00
{3834592} normal block at 0x0000021B88C10B40, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000021B86E1F770, 8 bytes long.
Data: < TÅ > A0 54 C5 88 1B 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000021B86E23140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000021B86E172D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000021B86E275A0, 16 bytes long.
Data: < ↠> 08 83 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021B86E27DC0, 16 bytes long.
Data: <à‚↠> E0 82 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021B86E213B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000021B86E272D0, 16 bytes long.
Data: <¸‚↠> B8 82 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021B86E276E0, 16 bytes long.
Data: < ≠ > 90 82 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021B86E27730, 16 bytes long.
Data: <h≠ > 68 82 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021B86E27C80, 16 bytes long.
Data: <@≠ > 40 82 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021B86E26890, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000021B86E27190, 16 bytes long.
Data: < ↠> 98 05 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021B86E20B70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000021B86E26E70, 16 bytes long.
Data: <p ↠> 70 05 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021B86E27CD0, 16 bytes long.
Data: <H ↠> 48 05 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021B86E27230, 16 bytes long.
Data: < ↠> 20 05 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021B86E26EC0, 16 bytes long.
Data: <ø ↠> F8 04 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021B86E27C30, 16 bytes long.
Data: <Р↠> D0 04 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021B86E27960, 16 bytes long.
Data: <¨ ↠> A8 04 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021B86E20C30, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{282} normal block at 0x0000021B86E27BE0, 16 bytes long.
Data: < ↠> 80 04 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021B86E20480, 320 bytes long.
Data: <à{↠0 ↠> E0 7B E2 86 1B 02 00 00 30 0C E2 86 1B 02 00 00
{280} normal block at 0x0000021B86E27D70, 16 bytes long.
Data: < ≠ > 20 82 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021B86E27AF0, 16 bytes long.
Data: <ø ↠> F8 81 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021B86E21170, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000021B86E271E0, 16 bytes long.
Data: <Р↠> D0 81 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021B86E21530, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000021B86E27500, 16 bytes long.
Data: < ↠> 18 81 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021B86E27870, 16 bytes long.
Data: <ð ↠> F0 80 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021B86E27B40, 16 bytes long.
Data: <È â† > C8 80 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021B86E278C0, 16 bytes long.
Data: <  ↠> A0 80 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021B86E27820, 16 bytes long.
Data: <x ↠> 78 80 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021B86E277D0, 16 bytes long.
Data: <P ↠> 50 80 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021B86E27B90, 16 bytes long.
Data: <ðl↠> F0 6C E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021B86E26CF0, 40 bytes long.
Data: < {↠P ¿ > 90 7B E2 86 1B 02 00 00 50 90 BF 88 1B 02 00 00
{266} normal block at 0x0000021B86E26F60, 16 bytes long.
Data: <0 ↠> 30 80 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021B86E26FB0, 16 bytes long.
Data: < ↠> 08 80 E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021B86E206F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000021B86E27140, 16 bytes long.
Data: <à ↠> E0 7F E2 86 1B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021B86E27FE0, 992 bytes long.
Data: <@q↠ð ↠> 40 71 E2 86 1B 02 00 00 F0 06 E2 86 1B 02 00 00
{98} normal block at 0x0000021B86E212F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000021B86E1EAF0, 16 bytes long.
Data: < êà† > 00 EA E0 86 1B 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000021B86E0EA00, 40 bytes long.
Data: <ðêᆠð ↠> F0 EA E1 86 1B 02 00 00 F0 12 E2 86 1B 02 00 00
{75} normal block at 0x0000021B86E1F310, 16 bytes long.
Data: < êi ö > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000021B86E1F680, 16 bytes long.
Data: <@éi ö > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000021B86E1F090, 16 bytes long.
Data: <øWf ö > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000021B86E1F630, 16 bytes long.
Data: <ØWf ö > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021B86E1F220, 16 bytes long.
Data: <P f ö > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021B86E1F540, 16 bytes long.
Data: <0 f ö > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021B86E1F1D0, 16 bytes long.
Data: <à f ö > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021B86E1F5E0, 16 bytes long.
Data: < f ö > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021B86E1F720, 16 bytes long.
Data: <p f ö > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021B86E1F4F0, 16 bytes long.
Data: < Àd ö > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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