Task 38688455
| Name | test_782-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6811_0 |
| Workunit | 31629807 |
| Created | 28 Oct 2026, 14:03:36 UTC |
| Sent | 28 Oct 2026, 14:03:44 UTC |
| Report deadline | 2 Nov 2026, 14:03:44 UTC |
| Received | 28 Oct 2026, 15:15:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 32 min 2 sec |
| CPU time | 22 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.51 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.75 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:41:55 (8020): wrapper (7.9.26016): starting
07:41:55 (8020): 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
07:41:59 (8020): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:41:59 (8020): 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
08:13:05 (8020): C:/Windows/system32/cmd.exe exited; CPU time 1328.328125
08:13:05 (8020): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 19179989 bytes.
Dumping objects ->
{3835569} normal block at 0x00000257BCCDC4D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x00000257BAF442E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x00000257BAF44900, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x00000257BAF44660, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x00000257BAF445F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x00000257BCD27740, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x00000257BAF692A0, 155 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) : {3835480} normal block at 0x00000257BAF3E950, 8 bytes long.
Data: < Q»W > 00 00 51 BB 57 02 00 00
{3834699} normal block at 0x00000257BAF6A0A0, 155 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 0x00000257BAF3ECC0, 8 bytes long.
Data: <`KÛ¼W > 60 4B DB BC 57 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000257BAF3FED0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000257BAF35AD0, 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 0x00000257BAF45950, 16 bytes long.
Data: < _ôºW > 18 5F F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000257BAF44F50, 16 bytes long.
Data: <ð^ôºW > F0 5E F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000257BAF3F700, 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 0x00000257BAF45360, 16 bytes long.
Data: <È^ôºW > C8 5E F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000257BAF45450, 16 bytes long.
Data: < ^ôºW > A0 5E F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000257BAF457C0, 16 bytes long.
Data: <x^ôºW > 78 5E F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000257BAF45B80, 16 bytes long.
Data: <P^ôºW > 50 5E F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000257BAF44970, 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 0x00000257BAF45310, 16 bytes long.
Data: <xÝóºW > 78 DD F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000257BAF3EF80, 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 0x00000257BAF452C0, 16 bytes long.
Data: <PÝóºW > 50 DD F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000257BAF45770, 16 bytes long.
Data: <(ÝóºW > 28 DD F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000257BAF45680, 16 bytes long.
Data: < ÝóºW > 00 DD F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000257BAF44F00, 16 bytes long.
Data: <ØÜóºW > D8 DC F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000257BAF45400, 16 bytes long.
Data: <°ÜóºW > B0 DC F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000257BAF45270, 16 bytes long.
Data: < ÜóºW > 88 DC F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000257BAF3F6A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000257BAF456D0, 16 bytes long.
Data: <`ÜóºW > 60 DC F3 BA 57 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000257BAF3DC60, 320 bytes long.
Data: <ÐVôºW  öóºW > D0 56 F4 BA 57 02 00 00 A0 F6 F3 BA 57 02 00 00
{276} normal block at 0x00000257BAF45B30, 16 bytes long.
Data: <0^ôºW > 30 5E F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000257BAF45AE0, 16 bytes long.
Data: < ^ôºW > 08 5E F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000257BAF3F580, 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 0x00000257BAF44CD0, 16 bytes long.
Data: <à]ôºW > E0 5D F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000257BAF3F520, 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 0x00000257BAF45A90, 16 bytes long.
Data: <(]ôºW > 28 5D F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000257BAF45720, 16 bytes long.
Data: < ]ôºW > 00 5D F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000257BAF45630, 16 bytes long.
Data: <Ø\ôºW > D8 5C F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000257BAF45590, 16 bytes long.
Data: <°\ôºW > B0 5C F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000257BAF44C80, 16 bytes long.
Data: < \ôºW > 88 5C F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000257BAF45540, 16 bytes long.
Data: <`\ôºW > 60 5C F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000257BAF44D70, 16 bytes long.
Data: <ÐFôºW > D0 46 F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000257BAF446D0, 40 bytes long.
Data: <pMôºW @wÒ¼W > 70 4D F4 BA 57 02 00 00 40 77 D2 BC 57 02 00 00
{262} normal block at 0x00000257BAF44FF0, 16 bytes long.
Data: <@\ôºW > 40 5C F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000257BAF455E0, 16 bytes long.
Data: < \ôºW > 18 5C F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000257BAF3F280, 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 0x00000257BAF44DC0, 16 bytes long.
Data: <ð[ôºW > F0 5B F4 BA 57 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000257BAF45BF0, 992 bytes long.
Data: <ÀMôºW òóºW > C0 4D F4 BA 57 02 00 00 80 F2 F3 BA 57 02 00 00
{94} normal block at 0x00000257BAF3F4C0, 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 0x00000257BAF3E4A0, 16 bytes long.
Data: <°ïòºW > B0 EF F2 BA 57 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000257BAF2EFB0, 40 bytes long.
Data: < äóºW ÀôóºW > A0 E4 F3 BA 57 02 00 00 C0 F4 F3 BA 57 02 00 00
{71} normal block at 0x00000257BAF3DF00, 16 bytes long.
Data: < ê#A÷ > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000257BAF3E720, 16 bytes long.
Data: <@é#A÷ > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000257BAF3E130, 16 bytes long.
Data: <øW A÷ > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000257BAF3E0E0, 16 bytes long.
Data: <ØW A÷ > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000257BAF3E770, 16 bytes long.
Data: <P A÷ > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000257BAF3DEB0, 16 bytes long.
Data: <0 A÷ > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000257BAF3E450, 16 bytes long.
Data: <à A÷ > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000257BAF3E220, 16 bytes long.
Data: < A÷ > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000257BAF3E090, 16 bytes long.
Data: <p A÷ > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000257BAF3E040, 16 bytes long.
Data: < À A÷ > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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