Task 38684380
| Name | test_443-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4852_0 |
| Workunit | 31625895 |
| Created | 27 Oct 2026, 16:02:51 UTC |
| Sent | 27 Oct 2026, 16:02:56 UTC |
| Report deadline | 1 Nov 2026, 16:02:56 UTC |
| Received | 28 Oct 2026, 0:06:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647027 |
| Run time | 2 hours 54 min 20 sec |
| CPU time | 2 hours 51 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,809.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 638.11 MB |
| Peak swap size | 12.68 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:13:20 (8652): wrapper (7.9.26016): starting
22:13:20 (8652): 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
22:13:22 (8652): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:13:22 (8652): 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\39\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\39\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
01:05:15 (8652): C:/Windows/system32/cmd.exe exited; CPU time 10273.640625
01:05:15 (8652): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 134291293 bytes.
Dumping objects ->
{3835251} normal block at 0x0000017A9D6B12C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000017A9D6B1170, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000017A9D6B0A70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x0000017A9D6B0D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000017A9D6B1330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x0000017A9D7A4660, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x0000017A9BAAF900, 145 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) : {3835162} normal block at 0x0000017A9BA56AF0, 8 bytes long.
Data: < U z > 00 00 55 9D 7A 01 00 00
{3834552} normal block at 0x0000017A9BAAFDE0, 145 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x0000017A9BA57040, 8 bytes long.
Data: <@½¨›z > 40 BD A8 9B 7A 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000017A9BA63140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017A9BA45C40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000017A9BA64B30, 16 bytes long.
Data: <8R¦›z > 38 52 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017A9BA64A40, 16 bytes long.
Data: < R¦›z > 10 52 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017A9BA5CAA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000017A9BA64720, 16 bytes long.
Data: <èQ¦›z > E8 51 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017A9BA64680, 16 bytes long.
Data: <ÀQ¦›z > C0 51 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017A9BA64220, 16 bytes long.
Data: < Q¦›z > 98 51 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017A9BA64400, 16 bytes long.
Data: <pQ¦›z > 70 51 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017A9BA5B540, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000017A9BA64E00, 16 bytes long.
Data: <Ø[¤›z > D8 5B A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017A9BA5C8C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000017A9BA64900, 16 bytes long.
Data: <°[¤›z > B0 5B A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017A9BA648B0, 16 bytes long.
Data: < [¤›z > 88 5B A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017A9BA64DB0, 16 bytes long.
Data: <`[¤›z > 60 5B A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017A9BA642C0, 16 bytes long.
Data: <8[¤›z > 38 5B A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017A9BA64D60, 16 bytes long.
Data: < [¤›z > 10 5B A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017A9BA64CC0, 16 bytes long.
Data: <èZ¤›z > E8 5A A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017A9BA5C560, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{272} normal block at 0x0000017A9BA63FA0, 16 bytes long.
Data: <ÀZ¤›z > C0 5A A4 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017A9BA45AC0, 320 bytes long.
Data: < ?¦›z `Å¥›z > A0 3F A6 9B 7A 01 00 00 60 C5 A5 9B 7A 01 00 00
{270} normal block at 0x0000017A9BA64BD0, 16 bytes long.
Data: <PQ¦›z > 50 51 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017A9BA649F0, 16 bytes long.
Data: <(Q¦›z > 28 51 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017A9BA5D3A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000017A9BA64630, 16 bytes long.
Data: < Q¦›z > 00 51 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017A9BA5C7A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000017A9BA640E0, 16 bytes long.
Data: <HP¦›z > 48 50 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017A9BA64D10, 16 bytes long.
Data: < P¦›z > 20 50 A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017A9BA64860, 16 bytes long.
Data: <øO¦›z > F8 4F A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017A9BA649A0, 16 bytes long.
Data: <ÐO¦›z > D0 4F A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017A9BA64090, 16 bytes long.
Data: <¨O¦›z > A8 4F A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017A9BA64040, 16 bytes long.
Data: < O¦›z > 80 4F A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000017A9BA64590, 16 bytes long.
Data: < ²¥›z > A0 B2 A5 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000017A9BA5B2A0, 40 bytes long.
Data: < E¦›z `Fz z > 90 45 A6 9B 7A 01 00 00 60 46 7A 9D 7A 01 00 00
{256} normal block at 0x0000017A9BA645E0, 16 bytes long.
Data: <`O¦›z > 60 4F A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000017A9BA64C20, 16 bytes long.
Data: <8O¦›z > 38 4F A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000017A9BA5C740, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000017A9BA64130, 16 bytes long.
Data: < O¦›z > 10 4F A6 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000017A9BA64F10, 992 bytes long.
Data: <0A¦›z @Ç¥›z > 30 41 A6 9B 7A 01 00 00 40 C7 A5 9B 7A 01 00 00
{88} normal block at 0x0000017A9BA5CD40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000017A9BA56910, 16 bytes long.
Data: <д¥›z > D0 B4 A5 9B 7A 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000017A9BA5B4D0, 40 bytes long.
Data: < i¥›z @Í¥›z > 10 69 A5 9B 7A 01 00 00 40 CD A5 9B 7A 01 00 00
{65} normal block at 0x0000017A9BA57090, 16 bytes long.
Data: < êôµö > 80 EA F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017A9BA56640, 16 bytes long.
Data: <@éôµö > 40 E9 F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000017A9BA56AA0, 16 bytes long.
Data: <øWñµö > F8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000017A9BA565A0, 16 bytes long.
Data: <ØWñµö > D8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000017A9BA56DC0, 16 bytes long.
Data: <P ñµö > 50 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000017A9BA571D0, 16 bytes long.
Data: <0 ñµö > 30 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000017A9BA566E0, 16 bytes long.
Data: <à ñµö > E0 02 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000017A9BA56A50, 16 bytes long.
Data: < ñµö > 10 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000017A9BA56D20, 16 bytes long.
Data: <p ñµö > 70 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000017A9BA56CD0, 16 bytes long.
Data: < Àïµö > 18 C0 EF B5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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