Task 38682753
| Name | test_370-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8974_0 |
| Workunit | 31624348 |
| Created | 27 Oct 2026, 8:58:11 UTC |
| Sent | 27 Oct 2026, 8:58:18 UTC |
| Report deadline | 1 Nov 2026, 8:58:18 UTC |
| Received | 27 Oct 2026, 10:02:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630608 |
| Run time | 32 min 51 sec |
| CPU time | 31 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.30 MB |
| Peak swap size | 13.14 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:30:07 (29692): wrapper (7.9.26016): starting
03:30:07 (29692): 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
03:30:09 (29692): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:30:09 (29692): 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:\BOINC\slots\4\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:\BOINC\slots\4\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
04:01:41 (29692): C:/Windows/system32/cmd.exe exited; CPU time 1871.796875
04:01:41 (29692): 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: 36999509 bytes.
Dumping objects ->
{3835291} normal block at 0x000002BD3648FE20, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835280} normal block at 0x000002BD38FE19C0, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835269} normal block at 0x000002BD38FE1D80, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835258} normal block at 0x000002BD38FE1960, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835247} normal block at 0x000002BD38FE2260, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835216} normal block at 0x000002BD36490280, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835205} normal block at 0x000002BD3644D840, 185 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) : {3835202} normal block at 0x000002BD36457BD0, 8 bytes long.
Data: < l6½ > 00 00 6C 36 BD 02 00 00
{3834572} normal block at 0x000002BD36462250, 185 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000002BD36457F40, 8 bytes long.
Data: < iþ8½ > 00 69 FE 38 BD 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002BD36462390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002BD3644A180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000002BD36463AB0, 16 bytes long.
Data: <xGF6½ > 78 47 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BD364637E0, 16 bytes long.
Data: <PGF6½ > 50 47 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002BD3645F140, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000002BD364635B0, 16 bytes long.
Data: <(GF6½ > 28 47 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BD36463600, 16 bytes long.
Data: < GF6½ > 00 47 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BD36463B50, 16 bytes long.
Data: <ØFF6½ > D8 46 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BD36463790, 16 bytes long.
Data: <°FF6½ > B0 46 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BD3645DDA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000002BD36463470, 16 bytes long.
Data: < ¡D6½ > 18 A1 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BD3645F980, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000002BD36463420, 16 bytes long.
Data: <ð D6½ > F0 A0 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002BD36464000, 16 bytes long.
Data: <È D6½ > C8 A0 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BD36463FB0, 16 bytes long.
Data: <  D6½ > A0 A0 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BD364633D0, 16 bytes long.
Data: <x D6½ > 78 A0 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BD36463EC0, 16 bytes long.
Data: <P D6½ > 50 A0 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BD364641E0, 16 bytes long.
Data: <( D6½ > 28 A0 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002BD3645EC60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002BD36463740, 16 bytes long.
Data: <  D6½ > 00 A0 44 36 BD 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002BD3644A000, 320 bytes long.
Data: <@7F6½ `ìE6½ > 40 37 46 36 BD 02 00 00 60 EC 45 36 BD 02 00 00
{268} normal block at 0x000002BD36463650, 16 bytes long.
Data: < FF6½ > 90 46 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BD36463E70, 16 bytes long.
Data: <hFF6½ > 68 46 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BD3645F860, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000002BD36463330, 16 bytes long.
Data: <@FF6½ > 40 46 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BD3645F7A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000002BD36464190, 16 bytes long.
Data: < EF6½ > 88 45 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BD36463E20, 16 bytes long.
Data: <`EF6½ > 60 45 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BD36464230, 16 bytes long.
Data: <8EF6½ > 38 45 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BD36463920, 16 bytes long.
Data: < EF6½ > 10 45 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BD364640F0, 16 bytes long.
Data: <èDF6½ > E8 44 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002BD36463380, 16 bytes long.
Data: <ÀDF6½ > C0 44 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002BD36463C90, 16 bytes long.
Data: <@ÙE6½ > 40 D9 45 36 BD 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002BD3645D940, 40 bytes long.
Data: < <F6½ I6½ > 90 3C 46 36 BD 02 00 00 80 02 49 36 BD 02 00 00
{254} normal block at 0x000002BD36463560, 16 bytes long.
Data: < DF6½ > A0 44 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002BD36463D30, 16 bytes long.
Data: <xDF6½ > 78 44 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002BD3645F740, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000002BD364640A0, 16 bytes long.
Data: <PDF6½ > 50 44 46 36 BD 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002BD36464450, 992 bytes long.
Data: < @F6½ @÷E6½ > A0 40 46 36 BD 02 00 00 40 F7 45 36 BD 02 00 00
{86} normal block at 0x000002BD3645F680, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000002BD36457EF0, 16 bytes long.
Data: < ×E6½ > 80 D7 45 36 BD 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002BD3645D780, 40 bytes long.
Data: <ð~E6½ öE6½ > F0 7E 45 36 BD 02 00 00 80 F6 45 36 BD 02 00 00
{63} normal block at 0x000002BD36458170, 16 bytes long.
Data: < ê\1ö > 80 EA 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BD36458800, 16 bytes long.
Data: <@é\1ö > 40 E9 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BD36458580, 16 bytes long.
Data: <øWY1ö > F8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002BD36457DB0, 16 bytes long.
Data: <ØWY1ö > D8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002BD36457CC0, 16 bytes long.
Data: <P Y1ö > 50 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002BD36458030, 16 bytes long.
Data: <0 Y1ö > 30 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002BD36457EA0, 16 bytes long.
Data: <à Y1ö > E0 02 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002BD36457D60, 16 bytes long.
Data: < Y1ö > 10 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002BD36458670, 16 bytes long.
Data: <p Y1ö > 70 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002BD36458530, 16 bytes long.
Data: < ÀW1ö > 18 C0 57 31 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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