Task 38700004
| Name | test_862-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1403_0 |
| Workunit | 31640343 |
| Created | 6 Nov 2026, 13:10:58 UTC |
| Sent | 6 Nov 2026, 13:11:02 UTC |
| Report deadline | 11 Nov 2026, 13:11:02 UTC |
| Received | 6 Nov 2026, 14:45:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632044 |
| Run time | 27 min 12 sec |
| CPU time | 23 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 84,053.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.23 MB |
| Peak swap size | 7.11 GB |
| Peak disk usage | 4.16 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:18:46 (29392): wrapper (7.9.26016): starting
06:18:46 (29392): 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
06:18:49 (29392): Library/usr/bin/tar.exe exited; CPU time 0.031250
06:18:49 (29392): 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\17\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\17\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
06:45:04 (29392): C:/Windows/system32/cmd.exe exited; CPU time 1384.203125
06:45:04 (29392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 28670677 bytes.
Dumping objects ->
{3835220} normal block at 0x000002A9E78507D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000002A9E7851640, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x000002A9E78515D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835187} normal block at 0x000002A9E7850BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x000002A9E7850990, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835145} normal block at 0x000002A9E7997B30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835132} normal block at 0x000002A9E5C0E010, 8 bytes long.
Data: < æ© > 00 00 0E E6 A9 02 00 00
{3833973} normal block at 0x000002A9E5C0E5B0, 8 bytes long.
Data: <@R¢ç© > 40 52 A2 E7 A9 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002A9E5C129B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002A9E5C06D60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000002A9E5C17BC0, 16 bytes long.
Data: < …Áå© > 98 85 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002A9E5C17DA0, 16 bytes long.
Data: <p…Áå© > 70 85 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002A9E5C104B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000002A9E5C17300, 16 bytes long.
Data: <H…Áå© > 48 85 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002A9E5C18070, 16 bytes long.
Data: < …Áå© > 20 85 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002A9E5C17D50, 16 bytes long.
Data: <ø„Áå© > F8 84 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A9E5C18200, 16 bytes long.
Data: <ЄÁå© > D0 84 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A9E5C10F60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000002A9E5C17850, 16 bytes long.
Data: <x Àå© > 78 07 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A9E5C106F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000002A9E5C17800, 16 bytes long.
Data: <P Àå© > 50 07 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A9E5C17CB0, 16 bytes long.
Data: <( Àå© > 28 07 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A9E5C17580, 16 bytes long.
Data: < Àå© > 00 07 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A9E5C17B70, 16 bytes long.
Data: <Ø Àå© > D8 06 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A9E5C181B0, 16 bytes long.
Data: <° Àå© > B0 06 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A9E5C17B20, 16 bytes long.
Data: < Àå© > 88 06 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A9E5C10C30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000002A9E5C17F30, 16 bytes long.
Data: <` Àå© > 60 06 C0 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A9E5C00660, 320 bytes long.
Data: <0 Áå© 0 Áå© > 30 7F C1 E5 A9 02 00 00 30 0C C1 E5 A9 02 00 00
{282} normal block at 0x000002A9E5C18020, 16 bytes long.
Data: <°„Áå© > B0 84 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A9E5C17620, 16 bytes long.
Data: < „Áå© > 88 84 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A9E5C10BD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000002A9E5C179E0, 16 bytes long.
Data: <`„Áå© > 60 84 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A9E5C105D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000002A9E5C17AD0, 16 bytes long.
Data: <¨ƒÁå© > A8 83 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A9E5C17490, 16 bytes long.
Data: < ƒÁå© > 80 83 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A9E5C172B0, 16 bytes long.
Data: <XƒÁå© > 58 83 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A9E5C17990, 16 bytes long.
Data: <0ƒÁå© > 30 83 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A9E5C17FD0, 16 bytes long.
Data: < ƒÁå© > 08 83 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A9E5C17C60, 16 bytes long.
Data: <à‚Áå© > E0 82 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A9E5C17940, 16 bytes long.
Data: < Áå© > 90 11 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A9E5C11190, 40 bytes long.
Data: <@yÁå© 0{ ç© > 40 79 C1 E5 A9 02 00 00 30 7B 99 E7 A9 02 00 00
{268} normal block at 0x000002A9E5C178A0, 16 bytes long.
Data: <À‚Áå© > C0 82 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A9E5C17C10, 16 bytes long.
Data: < ‚Áå© > 98 82 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A9E5C0FD90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000002A9E5C17A80, 16 bytes long.
Data: <p‚Áå© > 70 82 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A9E5C18270, 992 bytes long.
Data: < zÁå© ýÀå© > 80 7A C1 E5 A9 02 00 00 90 FD C0 E5 A9 02 00 00
{100} normal block at 0x000002A9E5C10750, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000002A9E5C0E7E0, 16 bytes long.
Data: <p Áå© > 70 12 C1 E5 A9 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000002A9E5C11270, 40 bytes long.
Data: <àçÀå© P Áå© > E0 E7 C0 E5 A9 02 00 00 50 07 C1 E5 A9 02 00 00
{77} normal block at 0x000002A9E5C0E600, 16 bytes long.
Data: < êÌV÷ > 80 EA CC 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002A9E5C0DF70, 16 bytes long.
Data: <@éÌV÷ > 40 E9 CC 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002A9E5C0DFC0, 16 bytes long.
Data: <øWÉV÷ > F8 57 C9 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002A9E5C0DBB0, 16 bytes long.
Data: <ØWÉV÷ > D8 57 C9 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002A9E5C0E560, 16 bytes long.
Data: <P ÉV÷ > 50 04 C9 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002A9E5C0E790, 16 bytes long.
Data: <0 ÉV÷ > 30 04 C9 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A9E5C0DB60, 16 bytes long.
Data: <à ÉV÷ > E0 02 C9 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A9E5C0E510, 16 bytes long.
Data: < ÉV÷ > 10 04 C9 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A9E5C0DF20, 16 bytes long.
Data: <p ÉV÷ > 70 04 C9 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A9E5C0E1A0, 16 bytes long.
Data: < ÀÇV÷ > 18 C0 C7 56 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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