Task 38669610
| Name | test_395-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND6872_0 |
| Workunit | 31611934 |
| Created | 25 Oct 2026, 15:04:45 UTC |
| Sent | 25 Oct 2026, 15:04:58 UTC |
| Report deadline | 30 Oct 2026, 15:04:58 UTC |
| Received | 25 Oct 2026, 15:56:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617738 |
| Run time | 49 min 19 sec |
| CPU time | 47 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,210.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.91 GB |
| Peak swap size | 6.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:07:43 (18648): wrapper (7.9.26016): starting
10:07:43 (18648): 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
10:07:44 (18648): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:07:44 (18648): 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\3\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\3\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
10:55:48 (18648): C:/Windows/system32/cmd.exe exited; CPU time 2876.968750
10:55:48 (18648): 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: 38163969 bytes.
Dumping objects ->
{3835250} normal block at 0x00000154B3F8E180, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x00000154B3F8E2D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x00000154B3F8E340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x00000154B21E4F10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x00000154B21E4E30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x00000154B3FD73B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835164} normal block at 0x00000154B3FEF240, 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) : {3835161} normal block at 0x00000154B21DE4F0, 8 bytes long.
Data: < p²T > 00 00 70 B2 54 01 00 00
{3834554} normal block at 0x00000154B3FEEF80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x00000154B21DDC80, 8 bytes long.
Data: <ðT ´T > F0 54 03 B4 54 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000154B21E2140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000154B21D6650, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000154B21E5F20, 16 bytes long.
Data: <¸l ²T > B8 6C 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000154B21E5E30, 16 bytes long.
Data: < l ²T > 90 6C 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000154B21DF570, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000154B21E6380, 16 bytes long.
Data: <hl ²T > 68 6C 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000154B21E5A70, 16 bytes long.
Data: <@l ²T > 40 6C 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000154B21E6330, 16 bytes long.
Data: < l ²T > 18 6C 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000154B21E5DE0, 16 bytes long.
Data: <ðk ²T > F0 6B 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000154B21E5290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000154B21E5D90, 16 bytes long.
Data: <Èö ²T > C8 F6 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000154B21DF5D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000154B21E6420, 16 bytes long.
Data: < ö ²T > A0 F6 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000154B21E62E0, 16 bytes long.
Data: <xö ²T > 78 F6 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000154B21E5B60, 16 bytes long.
Data: <Pö ²T > 50 F6 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000154B21E61F0, 16 bytes long.
Data: <(ö ²T > 28 F6 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000154B21E5D40, 16 bytes long.
Data: < ö ²T > 00 F6 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000154B21E6740, 16 bytes long.
Data: <Øõ ²T > D8 F5 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000154B21DFE70, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{278} normal block at 0x00000154B21E5CF0, 16 bytes long.
Data: <°õ ²T > B0 F5 1C B2 54 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000154B21CF5B0, 320 bytes long.
Data: <ð\ ²T pþ ²T > F0 5C 1E B2 54 01 00 00 70 FE 1D B2 54 01 00 00
{276} normal block at 0x00000154B21E65B0, 16 bytes long.
Data: <Ðk ²T > D0 6B 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000154B21E6100, 16 bytes long.
Data: <¨k ²T > A8 6B 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000154B21DF8D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000154B21E5CA0, 16 bytes long.
Data: < k ²T > 80 6B 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000154B21DF750, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000154B21E61A0, 16 bytes long.
Data: <Èj ²T > C8 6A 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000154B21E5ED0, 16 bytes long.
Data: < j ²T > A0 6A 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000154B21E6560, 16 bytes long.
Data: <xj ²T > 78 6A 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000154B21E66F0, 16 bytes long.
Data: <Pj ²T > 50 6A 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000154B21E5A20, 16 bytes long.
Data: <(j ²T > 28 6A 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000154B21E5C50, 16 bytes long.
Data: < j ²T > 00 6A 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000154B21E5E80, 16 bytes long.
Data: <@Q ²T > 40 51 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000154B21E5140, 40 bytes long.
Data: < ^ ²T °sý³T > 80 5E 1E B2 54 01 00 00 B0 73 FD B3 54 01 00 00
{262} normal block at 0x00000154B21E6290, 16 bytes long.
Data: <ài ²T > E0 69 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000154B21E5C00, 16 bytes long.
Data: <¸i ²T > B8 69 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000154B21DF630, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000154B21E5BB0, 16 bytes long.
Data: < i ²T > 90 69 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000154B21E6990, 992 bytes long.
Data: <°[ ²T 0ö ²T > B0 5B 1E B2 54 01 00 00 30 F6 1D B2 54 01 00 00
{94} normal block at 0x00000154B21DFD50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000154B21DD870, 16 bytes long.
Data: <ÀM ²T > C0 4D 1E B2 54 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000154B21E4DC0, 40 bytes long.
Data: <pØ ²T Pý ²T > 70 D8 1D B2 54 01 00 00 50 FD 1D B2 54 01 00 00
{71} normal block at 0x00000154B21DD820, 16 bytes long.
Data: < êðä÷ > 80 EA F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000154B21DE040, 16 bytes long.
Data: <@éðä÷ > 40 E9 F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000154B21DDF00, 16 bytes long.
Data: <øWíä÷ > F8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000154B21DD960, 16 bytes long.
Data: <ØWíä÷ > D8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000154B21DE450, 16 bytes long.
Data: <P íä÷ > 50 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000154B21DDF50, 16 bytes long.
Data: <0 íä÷ > 30 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000154B21DDAA0, 16 bytes long.
Data: <à íä÷ > E0 02 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000154B21DDCD0, 16 bytes long.
Data: < íä÷ > 10 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000154B21DDE10, 16 bytes long.
Data: <p íä÷ > 70 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000154B21DE220, 16 bytes long.
Data: < Àëä÷ > 18 C0 EB E4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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