Task 38684552
| Name | test_457-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3785_0 |
| Workunit | 31626062 |
| Created | 27 Oct 2026, 16:54:47 UTC |
| Sent | 27 Oct 2026, 16:54:52 UTC |
| Report deadline | 1 Nov 2026, 16:54:52 UTC |
| Received | 28 Oct 2026, 0:06:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641248 |
| Run time | 1 hours 47 min 59 sec |
| CPU time | 1 hours 46 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,740.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 746.72 MB |
| Peak swap size | 11.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:19:30 (18028): wrapper (7.9.26016): starting
23:19:30 (18028): 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
23:19:31 (18028): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:19:31 (18028): 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\18\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\18\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
01:06:18 (18028): C:/Windows/system32/cmd.exe exited; CPU time 6379.671875
01:06:18 (18028): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 97073203 bytes.
Dumping objects ->
{3835466} normal block at 0x00000255209E5370, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835455} normal block at 0x00000255209E5300, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835444} normal block at 0x00000255209E4DC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835433} normal block at 0x00000255209E5220, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835422} normal block at 0x00000255209E5140, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835391} normal block at 0x00000255226A8BD0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835380} normal block at 0x0000025522703760, 180 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) : {3835377} normal block at 0x00000255209DE9F0, 8 bytes long.
Data: < ô U > 00 00 F4 20 55 02 00 00
{3834659} normal block at 0x00000255227033A0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000255209DEE00, 8 bytes long.
Data: <0Hp"U > 30 48 70 22 55 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000255209E0B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000255209D5E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000255209E5DE0, 16 bytes long.
Data: <hgž U > 68 67 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000255209E62E0, 16 bytes long.
Data: <@gž U > 40 67 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000255209DF920, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000255209E5CA0, 16 bytes long.
Data: < gž U > 18 67 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000255209E5C50, 16 bytes long.
Data: <ðfž U > F0 66 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000255209E6290, 16 bytes long.
Data: <Èfž U > C8 66 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000255209E5C00, 16 bytes long.
Data: < fž U > A0 66 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000255209E4E30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000255209E63D0, 16 bytes long.
Data: < ¶œ U > 08 B6 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000255209E0640, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000255209E5B10, 16 bytes long.
Data: <൜ U > E0 B5 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000255209E57F0, 16 bytes long.
Data: <¸µœ U > B8 B5 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000255209E5AC0, 16 bytes long.
Data: < µœ U > 90 B5 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000255209E61A0, 16 bytes long.
Data: <hµœ U > 68 B5 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000255209E6060, 16 bytes long.
Data: <@µœ U > 40 B5 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000255209E59D0, 16 bytes long.
Data: < µœ U > 18 B5 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000255209E02E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000255209E5480, 16 bytes long.
Data: <𴜠U > F0 B4 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000255209CB4F0, 320 bytes long.
Data: < Tž U à ž U > 80 54 9E 20 55 02 00 00 E0 02 9E 20 55 02 00 00
{274} normal block at 0x00000255209E57A0, 16 bytes long.
Data: < fž U > 80 66 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000255209E5CF0, 16 bytes long.
Data: <Xfž U > 58 66 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000255209E03A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000255209E5930, 16 bytes long.
Data: <0fž U > 30 66 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000255209E01C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000255209E6150, 16 bytes long.
Data: <xež U > 78 65 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000255209E5FC0, 16 bytes long.
Data: <Pež U > 50 65 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000255209E58E0, 16 bytes long.
Data: <(ež U > 28 65 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000255209E5E80, 16 bytes long.
Data: < ež U > 00 65 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000255209E5A70, 16 bytes long.
Data: <Ødž U > D8 64 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000255209E5B60, 16 bytes long.
Data: <°dž U > B0 64 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000255209E5840, 16 bytes long.
Data: < Nž U > A0 4E 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000255209E4EA0, 40 bytes long.
Data: <@Xž U Ћj"U > 40 58 9E 20 55 02 00 00 D0 8B 6A 22 55 02 00 00
{260} normal block at 0x00000255209E61F0, 16 bytes long.
Data: < dž U > 90 64 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000255209E5980, 16 bytes long.
Data: <hdž U > 68 64 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000255209DF980, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000255209E5890, 16 bytes long.
Data: <@dž U > 40 64 9E 20 55 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000255209E6440, 992 bytes long.
Data: < Xž U ù U > 90 58 9E 20 55 02 00 00 80 F9 9D 20 55 02 00 00
{92} normal block at 0x00000255209DFAA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000255209DEE50, 16 bytes long.
Data: <pǜ U > 70 C7 9C 20 55 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000255209CC770, 40 bytes long.
Data: <Pî U  ú U > 50 EE 9D 20 55 02 00 00 A0 FA 9D 20 55 02 00 00
{69} normal block at 0x00000255209DEC20, 16 bytes long.
Data: < êþ ÷ > 80 EA FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000255209DF4E0, 16 bytes long.
Data: <@éþ ÷ > 40 E9 FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000255209DF030, 16 bytes long.
Data: <øWû ÷ > F8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000255209DF350, 16 bytes long.
Data: <ØWû ÷ > D8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000255209DF760, 16 bytes long.
Data: <P û ÷ > 50 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000255209DEDB0, 16 bytes long.
Data: <0 û ÷ > 30 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000255209DEC70, 16 bytes long.
Data: <à û ÷ > E0 02 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000255209DF710, 16 bytes long.
Data: < û ÷ > 10 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000255209DEA40, 16 bytes long.
Data: <p û ÷ > 70 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000255209DED10, 16 bytes long.
Data: < Àù ÷ > 18 C0 F9 99 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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