Task 38685310
| Name | test_329-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1765_0 |
| Workunit | 31626785 |
| Created | 27 Oct 2026, 20:25:51 UTC |
| Sent | 27 Oct 2026, 20:25:54 UTC |
| Report deadline | 1 Nov 2026, 20:25:54 UTC |
| Received | 27 Oct 2026, 20:56:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641471 |
| Run time | 28 min 41 sec |
| CPU time | 26 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.84 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:27:08 (5240): wrapper (7.9.26016): starting
20:27:08 (5240): 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
20:27:10 (5240): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:27:10 (5240): 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
20:54:53 (5240): C:/Windows/system32/cmd.exe exited; CPU time 1575.718750
20:54:53 (5240): 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: 29167311 bytes.
Dumping objects ->
{3835253} normal block at 0x000002789490D9D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x0000027892A94DB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x0000027892A94D40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x0000027892A94CD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000027892A94C60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x0000027894958750, 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) : {3835165} normal block at 0x0000027892A909B0, 8 bytes long.
Data: < “x > 00 00 16 93 78 02 00 00
{3833961} normal block at 0x0000027892A90820, 8 bytes long.
Data: < <›”x > A0 3C 9B 94 78 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027892A91150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000027892A86D40, 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 0x0000027892A95C90, 16 bytes long.
Data: < Y©’x > 18 59 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027892A95CE0, 16 bytes long.
Data: <ðX©’x > F0 58 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027892A8F7B0, 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 0x0000027892A95F10, 16 bytes long.
Data: <ÈX©’x > C8 58 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027892A960A0, 16 bytes long.
Data: < X©’x > A0 58 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027892A95BF0, 16 bytes long.
Data: <xX©’x > 78 58 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027892A967D0, 16 bytes long.
Data: <PX©’x > 50 58 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027892A94F70, 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 0x0000027892A95D30, 16 bytes long.
Data: <h訒x > 68 E8 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027892A8F210, 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 0x0000027892A95F60, 16 bytes long.
Data: <@訒x > 40 E8 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027892A96640, 16 bytes long.
Data: < 訒x > 18 E8 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027892A968C0, 16 bytes long.
Data: <ð稒x > F0 E7 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027892A95B50, 16 bytes long.
Data: <È稒x > C8 E7 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027892A961E0, 16 bytes long.
Data: < ç¨’x > A0 E7 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027892A95BA0, 16 bytes long.
Data: <x稒x > 78 E7 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027892A8F450, 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 0x0000027892A96910, 16 bytes long.
Data: <P稒x > 50 E7 A8 92 78 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027892A8E750, 320 bytes long.
Data: < i©’x Pô¨’x > 10 69 A9 92 78 02 00 00 50 F4 A8 92 78 02 00 00
{276} normal block at 0x0000027892A95FB0, 16 bytes long.
Data: <0X©’x > 30 58 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027892A95E20, 16 bytes long.
Data: < X©’x > 08 58 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027892A8ED90, 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 0x0000027892A96550, 16 bytes long.
Data: <àW©’x > E0 57 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027892A8F3F0, 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 0x0000027892A96190, 16 bytes long.
Data: <(W©’x > 28 57 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027892A965A0, 16 bytes long.
Data: < W©’x > 00 57 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027892A96870, 16 bytes long.
Data: <ØV©’x > D8 56 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027892A965F0, 16 bytes long.
Data: <°V©’x > B0 56 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027892A90730, 16 bytes long.
Data: < V©’x > 88 56 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027892A906E0, 16 bytes long.
Data: <`V©’x > 60 56 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027892A8FFB0, 16 bytes long.
Data: < N©’x > 90 4E A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027892A94E90, 40 bytes long.
Data: <°ÿ¨’x P‡•”x > B0 FF A8 92 78 02 00 00 50 87 95 94 78 02 00 00
{262} normal block at 0x0000027892A90690, 16 bytes long.
Data: <@V©’x > 40 56 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027892A90140, 16 bytes long.
Data: < V©’x > 18 56 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027892A8ECD0, 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 0x0000027892A8FD80, 16 bytes long.
Data: <ðU©’x > F0 55 A9 92 78 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027892A955F0, 992 bytes long.
Data: < ý¨’x Ð쨒x > 80 FD A8 92 78 02 00 00 D0 EC A8 92 78 02 00 00
{94} normal block at 0x0000027892A8F630, 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 0x0000027892A907D0, 16 bytes long.
Data: <àð§’x > E0 F0 A7 92 78 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000027892A7F0E0, 40 bytes long.
Data: <Ð ©’x 0ö¨’x > D0 07 A9 92 78 02 00 00 30 F6 A8 92 78 02 00 00
{71} normal block at 0x0000027892A8FC40, 16 bytes long.
Data: < ê p÷ > 80 EA 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000027892A90050, 16 bytes long.
Data: <@é p÷ > 40 E9 08 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027892A8FD30, 16 bytes long.
Data: <øW p÷ > F8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027892A902D0, 16 bytes long.
Data: <ØW p÷ > D8 57 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027892A8FC90, 16 bytes long.
Data: <P p÷ > 50 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027892A90780, 16 bytes long.
Data: <0 p÷ > 30 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027892A8FBF0, 16 bytes long.
Data: <à p÷ > E0 02 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027892A8FCE0, 16 bytes long.
Data: < p÷ > 10 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027892A90870, 16 bytes long.
Data: <p p÷ > 70 04 05 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027892A90370, 16 bytes long.
Data: < À p÷ > 18 C0 03 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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