Task 38684188
| Name | test_60-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5548_0 |
| Workunit | 31625709 |
| Created | 27 Oct 2026, 15:07:13 UTC |
| Sent | 27 Oct 2026, 15:07:16 UTC |
| Report deadline | 1 Nov 2026, 15:07:16 UTC |
| Received | 27 Oct 2026, 16:29:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648197 |
| Run time | 41 min 43 sec |
| CPU time | 38 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,587.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.82 MB |
| Peak swap size | 5.38 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:47:46 (3252): wrapper (7.9.26016): starting
16:47:46 (3252): 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
16:47:47 (3252): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:47:47 (3252): 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\7\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\7\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
17:28:24 (3252): C:/Windows/system32/cmd.exe exited; CPU time 2299.781250
17:28:24 (3252): 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: 34712051 bytes.
Dumping objects ->
{3835282} normal block at 0x000001E7C790E090, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835271} normal block at 0x000001E7C790D840, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835260} normal block at 0x000001E7C5C149F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835249} normal block at 0x000001E7C5C150F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835238} normal block at 0x000001E7C5C14FA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835207} normal block at 0x000001E7C79571B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000001E7C796EFA0, 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) : {3835193} normal block at 0x000001E7C5C0F8F0, 8 bytes long.
Data: < !Æç > 00 00 21 C6 E7 01 00 00
{3834569} normal block at 0x000001E7C796F520, 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 0x000001E7C5C0F1C0, 8 bytes long.
Data: < >›Çç > 80 3E 9B C7 E7 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E7C5C0DD00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E7C5C069F0, 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 0x000001E7C5C15E40, 16 bytes long.
Data: < jÁÅç > 98 6A C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E7C5C15DA0, 16 bytes long.
Data: <pjÁÅç > 70 6A C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E7C5C0FD90, 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 0x000001E7C5C15800, 16 bytes long.
Data: <HjÁÅç > 48 6A C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E7C5C15FD0, 16 bytes long.
Data: < jÁÅç > 20 6A C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E7C5C15AD0, 16 bytes long.
Data: <øiÁÅç > F8 69 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E7C5C16480, 16 bytes long.
Data: <ÐiÁÅç > D0 69 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E7C5C14D70, 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 0x000001E7C5C166B0, 16 bytes long.
Data: <8ô¿Åç > 38 F4 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E7C5C10930, 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 0x000001E7C5C16200, 16 bytes long.
Data: < ô¿Åç > 10 F4 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E7C5C15940, 16 bytes long.
Data: <èó¿Åç > E8 F3 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E7C5C158A0, 16 bytes long.
Data: <Àó¿Åç > C0 F3 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E7C5C15E90, 16 bytes long.
Data: < ó¿Åç > 98 F3 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E7C5C15A80, 16 bytes long.
Data: <pó¿Åç > 70 F3 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E7C5C15850, 16 bytes long.
Data: <Hó¿Åç > 48 F3 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E7C5C0FD30, 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 0x000001E7C5C16160, 16 bytes long.
Data: < ó¿Åç > 20 F3 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E7C5BFF320, 320 bytes long.
Data: <`aÁÅç 0ýÀÅç > 60 61 C1 C5 E7 01 00 00 30 FD C0 C5 E7 01 00 00
{276} normal block at 0x000001E7C5C15DF0, 16 bytes long.
Data: <°iÁÅç > B0 69 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E7C5C15C60, 16 bytes long.
Data: < iÁÅç > 88 69 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E7C5C10810, 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 0x000001E7C5C157B0, 16 bytes long.
Data: <`iÁÅç > 60 69 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E7C5C108D0, 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 0x000001E7C5C15F30, 16 bytes long.
Data: <¨hÁÅç > A8 68 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E7C5C15F80, 16 bytes long.
Data: < hÁÅç > 80 68 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E7C5C16660, 16 bytes long.
Data: <XhÁÅç > 58 68 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E7C5C16110, 16 bytes long.
Data: <0hÁÅç > 30 68 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E7C5C160C0, 16 bytes long.
Data: < hÁÅç > 08 68 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E7C5C15A30, 16 bytes long.
Data: <àgÁÅç > E0 67 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E7C5C161B0, 16 bytes long.
Data: < PÁÅç > 80 50 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E7C5C15080, 40 bytes long.
Data: <°aÁÅç °q•Çç > B0 61 C1 C5 E7 01 00 00 B0 71 95 C7 E7 01 00 00
{262} normal block at 0x000001E7C5C15C10, 16 bytes long.
Data: <ÀgÁÅç > C0 67 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E7C5C15EE0, 16 bytes long.
Data: < gÁÅç > 98 67 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E7C5C0FAF0, 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 0x000001E7C5C16700, 16 bytes long.
Data: <pgÁÅç > 70 67 C1 C5 E7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E7C5C16770, 992 bytes long.
Data: < gÁÅç ðúÀÅç > 00 67 C1 C5 E7 01 00 00 F0 FA C0 C5 E7 01 00 00
{94} normal block at 0x000001E7C5C107B0, 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 0x000001E7C5C0F3A0, 16 bytes long.
Data: <@Ô¿Åç > 40 D4 BF C5 E7 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001E7C5BFD440, 40 bytes long.
Data: < óÀÅç ° ÁÅç > A0 F3 C0 C5 E7 01 00 00 B0 07 C1 C5 E7 01 00 00
{71} normal block at 0x000001E7C5C0EE50, 16 bytes long.
Data: < ê ö > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E7C5C0EE00, 16 bytes long.
Data: <@é ö > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E7C5C0F710, 16 bytes long.
Data: <øWº ö > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E7C5C0F030, 16 bytes long.
Data: <ØWº ö > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E7C5C0EFE0, 16 bytes long.
Data: <P º ö > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E7C5C0EDB0, 16 bytes long.
Data: <0 º ö > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E7C5C0F9E0, 16 bytes long.
Data: <à º ö > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E7C5C0F2B0, 16 bytes long.
Data: < º ö > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E7C5C0ED60, 16 bytes long.
Data: <p º ö > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E7C5C0F760, 16 bytes long.
Data: < À¸ ö > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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