Task 38688325
| Name | test_620-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1373_0 |
| Workunit | 31629680 |
| Created | 28 Oct 2026, 13:08:29 UTC |
| Sent | 28 Oct 2026, 13:08:33 UTC |
| Report deadline | 2 Nov 2026, 13:08:33 UTC |
| Received | 28 Oct 2026, 13:39:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654960 |
| Run time | 29 min 1 sec |
| CPU time | 26 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 802.38 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:11:22 (30772): wrapper (7.9.26016): starting
06:11:22 (30772): 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
06:11:23 (30772): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:11:23 (30772): 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\32\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\32\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
06:38:29 (30772): C:/Windows/system32/cmd.exe exited; CPU time 1611.218750
06:38:29 (30772): 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: 38665727 bytes.
Dumping objects ->
{3835451} normal block at 0x0000014389106970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835440} normal block at 0x0000014389106900, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835429} normal block at 0x0000014389106890, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835418} normal block at 0x0000014389106820, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835407} normal block at 0x0000014389106B30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835376} normal block at 0x000001438AEF53E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x000001438AF0E7F0, 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) : {3835362} normal block at 0x00000143890FF890, 8 bytes long.
Data: < l‰C > 00 00 6C 89 43 01 00 00
{3834640} normal block at 0x000001438AF0F190, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000143890FF2A0, 8 bytes long.
Data: < ©ðŠC > A0 A9 F0 8A 43 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000143891007B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000143890F62E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000143891057C0, 16 bytes long.
Data: <Èc ‰C > C8 63 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000014389105360, 16 bytes long.
Data: < c ‰C > A0 63 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000014389101C10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000014389105CC0, 16 bytes long.
Data: <xc ‰C > 78 63 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014389105EA0, 16 bytes long.
Data: <Pc ‰C > 50 63 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000143891054F0, 16 bytes long.
Data: <(c ‰C > 28 63 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014389105310, 16 bytes long.
Data: < c ‰C > 00 63 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014389106660, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000014389105D60, 16 bytes long.
Data: <Ø÷ ‰C > D8 F7 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000014389101FD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000014389105770, 16 bytes long.
Data: <°÷ ‰C > B0 F7 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014389105680, 16 bytes long.
Data: < ÷ ‰C > 88 F7 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014389105EF0, 16 bytes long.
Data: <`÷ ‰C > 60 F7 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000014389105220, 16 bytes long.
Data: <8÷ ‰C > 38 F7 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014389105E00, 16 bytes long.
Data: < ÷ ‰C > 10 F7 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000014389105C20, 16 bytes long.
Data: <èö ‰C > E8 F6 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000014389101B50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000014389105540, 16 bytes long.
Data: <Àö ‰C > C0 F6 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000143890EF6C0, 320 bytes long.
Data: <@U ‰C P ‰C > 40 55 10 89 43 01 00 00 50 1B 10 89 43 01 00 00
{268} normal block at 0x0000014389105130, 16 bytes long.
Data: <àb ‰C > E0 62 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014389105F90, 16 bytes long.
Data: <¸b ‰C > B8 62 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000014389101970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000014389105590, 16 bytes long.
Data: < b ‰C > 90 62 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000014389101AF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000143891051D0, 16 bytes long.
Data: <Øa ‰C > D8 61 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000143891050E0, 16 bytes long.
Data: <°a ‰C > B0 61 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014389105A40, 16 bytes long.
Data: < a ‰C > 88 61 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000014389105400, 16 bytes long.
Data: <`a ‰C > 60 61 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000014389105E50, 16 bytes long.
Data: <8a ‰C > 38 61 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000014389105DB0, 16 bytes long.
Data: < a ‰C > 10 61 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000014389105C70, 16 bytes long.
Data: <à× ‰C > E0 D7 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000143890ED7E0, 40 bytes long.
Data: <p\ ‰C àSïŠC > 70 5C 10 89 43 01 00 00 E0 53 EF 8A 43 01 00 00
{254} normal block at 0x0000014389105AE0, 16 bytes long.
Data: <ð` ‰C > F0 60 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000014389105270, 16 bytes long.
Data: <È` ‰C > C8 60 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000014389101D30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000014389105720, 16 bytes long.
Data: < ` ‰C > A0 60 10 89 43 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000143891060A0, 992 bytes long.
Data: < W ‰C 0 ‰C > 20 57 10 89 43 01 00 00 30 1D 10 89 43 01 00 00
{86} normal block at 0x0000014389102390, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000143890FF1B0, 16 bytes long.
Data: <ðË ‰C > F0 CB 0E 89 43 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000143890ECBF0, 40 bytes long.
Data: <°ñ ‰C # ‰C > B0 F1 0F 89 43 01 00 00 90 23 10 89 43 01 00 00
{63} normal block at 0x00000143890FFC50, 16 bytes long.
Data: < ê¥y÷ > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000143890FF390, 16 bytes long.
Data: <@é¥y÷ > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000143890FF110, 16 bytes long.
Data: <øW¢y÷ > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000143890FF840, 16 bytes long.
Data: <ØW¢y÷ > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000143890FF430, 16 bytes long.
Data: <P ¢y÷ > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000143890FF0C0, 16 bytes long.
Data: <0 ¢y÷ > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000143890FEEE0, 16 bytes long.
Data: <à ¢y÷ > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000143890FF3E0, 16 bytes long.
Data: < ¢y÷ > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000143890FFBB0, 16 bytes long.
Data: <p ¢y÷ > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000143890FEE40, 16 bytes long.
Data: < À y÷ > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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