Task 38679532
| Name | test_679-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7289_0 |
| Workunit | 31621304 |
| Created | 26 Oct 2026, 20:53:38 UTC |
| Sent | 26 Oct 2026, 20:53:43 UTC |
| Report deadline | 31 Oct 2026, 20:53:43 UTC |
| Received | 27 Oct 2026, 7:40:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575233 |
| Run time | 29 min 20 sec |
| CPU time | 27 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.36 MB |
| Peak swap size | 9.80 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:11:52 (68288): wrapper (7.9.26016): starting
08:11:52 (68288): 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
08:11:54 (68288): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:11:54 (68288): 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 'D:\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 'D:\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
08:39:50 (68288): C:/Windows/system32/cmd.exe exited; CPU time 1642.031250
08:39:50 (68288): 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: 37316945 bytes.
Dumping objects ->
{3835278} normal block at 0x000002E7B1404990, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x000002E7B1404840, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x000002E7AF525180, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835245} normal block at 0x000002E7AF525490, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000002E7AF5252D0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835203} normal block at 0x000002E7B1375870, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x000002E7AF51A980, 8 bytes long.
Data: < ¸¯ç > 00 00 B8 AF E7 02 00 00
{3833975} normal block at 0x000002E7AF51B7E0, 8 bytes long.
Data: < ê(±ç > A0 EA 28 B1 E7 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000002E7AF521B20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002E7AF516960, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000002E7AF525DD0, 16 bytes long.
Data: <(oR¯ç > 28 6F 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002E7AF5267D0, 16 bytes long.
Data: < oR¯ç > 00 6F 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002E7AF51E8B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000002E7AF525D80, 16 bytes long.
Data: <ØnR¯ç > D8 6E 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002E7AF526050, 16 bytes long.
Data: <°nR¯ç > B0 6E 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002E7AF525D30, 16 bytes long.
Data: < nR¯ç > 88 6E 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002E7AF526730, 16 bytes long.
Data: <`nR¯ç > 60 6E 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002E7AF525570, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000002E7AF5266E0, 16 bytes long.
Data: <H—Q¯ç > 48 97 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002E7AF51EE50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000002E7AF526640, 16 bytes long.
Data: < —Q¯ç > 20 97 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002E7AF525C40, 16 bytes long.
Data: <ø–Q¯ç > F8 96 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002E7AF5265F0, 16 bytes long.
Data: <ЖQ¯ç > D0 96 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002E7AF525CE0, 16 bytes long.
Data: <¨–Q¯ç > A8 96 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002E7AF5265A0, 16 bytes long.
Data: < –Q¯ç > 80 96 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002E7AF525F10, 16 bytes long.
Data: <X–Q¯ç > 58 96 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002E7AF51F7B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000002E7AF526500, 16 bytes long.
Data: <0–Q¯ç > 30 96 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002E7AF519630, 320 bytes long.
Data: < eR¯ç °÷Q¯ç > 00 65 52 AF E7 02 00 00 B0 F7 51 AF E7 02 00 00
{283} normal block at 0x000002E7AF5264B0, 16 bytes long.
Data: <@nR¯ç > 40 6E 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002E7AF526820, 16 bytes long.
Data: < nR¯ç > 18 6E 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002E7AF51F690, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000002E7AF526690, 16 bytes long.
Data: <ðmR¯ç > F0 6D 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002E7AF51F150, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000002E7AF525E70, 16 bytes long.
Data: <8mR¯ç > 38 6D 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002E7AF5263C0, 16 bytes long.
Data: < mR¯ç > 10 6D 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002E7AF526A00, 16 bytes long.
Data: <èlR¯ç > E8 6C 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002E7AF5262D0, 16 bytes long.
Data: <ÀlR¯ç > C0 6C 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002E7AF526B90, 16 bytes long.
Data: < lR¯ç > 98 6C 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002E7AF525C90, 16 bytes long.
Data: <plR¯ç > 70 6C 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002E7AF5268C0, 16 bytes long.
Data: <PVR¯ç > 50 56 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002E7AF525650, 40 bytes long.
Data: <ÀhR¯ç pX7±ç > C0 68 52 AF E7 02 00 00 70 58 37 B1 E7 02 00 00
{269} normal block at 0x000002E7AF526460, 16 bytes long.
Data: <PlR¯ç > 50 6C 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002E7AF526870, 16 bytes long.
Data: <(lR¯ç > 28 6C 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002E7AF51E970, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000002E7AF525E20, 16 bytes long.
Data: < lR¯ç > 00 6C 52 AF E7 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002E7AF526C00, 992 bytes long.
Data: < ^R¯ç péQ¯ç > 20 5E 52 AF E7 02 00 00 70 E9 51 AF E7 02 00 00
{101} normal block at 0x000002E7AF51F750, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000002E7AF51B4C0, 16 bytes long.
Data: < Q¯ç > 00 05 51 AF E7 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000002E7AF510500, 40 bytes long.
Data: <À´Q¯ç P÷Q¯ç > C0 B4 51 AF E7 02 00 00 50 F7 51 AF E7 02 00 00
{78} normal block at 0x000002E7AF51A9D0, 16 bytes long.
Data: < êéZ÷ > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002E7AF51B740, 16 bytes long.
Data: <@ééZ÷ > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002E7AF51B6A0, 16 bytes long.
Data: <øWæZ÷ > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002E7AF51B600, 16 bytes long.
Data: <ØWæZ÷ > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002E7AF51AA20, 16 bytes long.
Data: <P æZ÷ > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002E7AF51B1F0, 16 bytes long.
Data: <0 æZ÷ > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002E7AF51B650, 16 bytes long.
Data: <à æZ÷ > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002E7AF51ACA0, 16 bytes long.
Data: < æZ÷ > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002E7AF51B060, 16 bytes long.
Data: <p æZ÷ > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002E7AF51AF20, 16 bytes long.
Data: < ÀäZ÷ > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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