Task 38675557
| Name | test_404-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3875_0 |
| Workunit | 31617522 |
| Created | 26 Oct 2026, 8:37:52 UTC |
| Sent | 26 Oct 2026, 8:37:59 UTC |
| Report deadline | 31 Oct 2026, 8:37:59 UTC |
| Received | 26 Oct 2026, 11:27:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652544 |
| Run time | 44 min 40 sec |
| CPU time | 41 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,076.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.36 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.71 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:43:54 (7300): wrapper (7.9.26016): starting
11:43:54 (7300): 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
11:43:56 (7300): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:43:56 (7300): 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\5\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\5\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
12:26:18 (7300): C:/Windows/system32/cmd.exe exited; CPU time 2511.765625
12:26:18 (7300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 65932801 bytes.
Dumping objects ->
{3835258} normal block at 0x000001BF157A0BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x000001BF157A0B50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x000001BF157A0FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835225} normal block at 0x000001BF157A0A00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x000001BF157A0990, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835183} normal block at 0x000001BF1584BEA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001BF159333D0, 141 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) : {3835169} normal block at 0x000001BF13B15F60, 8 bytes long.
Data: < ª ¿ > 00 00 AA 13 BF 01 00 00
{3834553} normal block at 0x000001BF15933F30, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001BF13B15EC0, 8 bytes long.
Data: < ª° ¿ > 80 AA B0 13 BF 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001BF13B20BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BF13B21B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001BF13B22180, 16 bytes long.
Data: < /² ¿ > 18 2F B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BF13B221D0, 16 bytes long.
Data: <ð.² ¿ > F0 2E B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BF13B1BB10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001BF13B220E0, 16 bytes long.
Data: <È.² ¿ > C8 2E B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BF13B22810, 16 bytes long.
Data: < .² ¿ > A0 2E B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BF13B22130, 16 bytes long.
Data: <x.² ¿ > 78 2E B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BF13B22310, 16 bytes long.
Data: <P.² ¿ > 50 2E B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BF13B1A0F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001BF13B22360, 16 bytes long.
Data: <È ² ¿ > C8 1A B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BF13B1BFF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001BF13B22220, 16 bytes long.
Data: <  ² ¿ > A0 1A B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BF13B21D20, 16 bytes long.
Data: <x ² ¿ > 78 1A B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BF13B21FF0, 16 bytes long.
Data: <P ² ¿ > 50 1A B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BF13B21EB0, 16 bytes long.
Data: <( ² ¿ > 28 1A B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BF13B22680, 16 bytes long.
Data: < ² ¿ > 00 1A B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BF13B22540, 16 bytes long.
Data: <Ø ² ¿ > D8 19 B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BF13B1B990, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001BF13B22A40, 16 bytes long.
Data: <° ² ¿ > B0 19 B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BF13B219B0, 320 bytes long.
Data: <@*² ¿ ¹± ¿ > 40 2A B2 13 BF 01 00 00 90 B9 B1 13 BF 01 00 00
{269} normal block at 0x000001BF13B22900, 16 bytes long.
Data: <0.² ¿ > 30 2E B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BF13B224A0, 16 bytes long.
Data: < .² ¿ > 08 2E B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BF13B1BF90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001BF13B22040, 16 bytes long.
Data: <à-² ¿ > E0 2D B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BF13B1C0B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001BF13B22450, 16 bytes long.
Data: <(-² ¿ > 28 2D B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BF13B21CD0, 16 bytes long.
Data: < -² ¿ > 00 2D B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BF13B229F0, 16 bytes long.
Data: <Ø,² ¿ > D8 2C B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BF13B22950, 16 bytes long.
Data: <°,² ¿ > B0 2C B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BF13B224F0, 16 bytes long.
Data: < ,² ¿ > 88 2C B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BF13B22090, 16 bytes long.
Data: <`,² ¿ > 60 2C B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BF13B223B0, 16 bytes long.
Data: < §± ¿ > 10 A7 B1 13 BF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BF13B1A710, 40 bytes long.
Data: <°#² ¿  ¾„ ¿ > B0 23 B2 13 BF 01 00 00 A0 BE 84 15 BF 01 00 00
{255} normal block at 0x000001BF13B21FA0, 16 bytes long.
Data: <@,² ¿ > 40 2C B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001BF13B22B80, 16 bytes long.
Data: < ,² ¿ > 18 2C B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BF13B1B870, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001BF13B22400, 16 bytes long.
Data: <ð+² ¿ > F0 2B B2 13 BF 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001BF13B22BF0, 992 bytes long.
Data: < $² ¿ p¸± ¿ > 00 24 B2 13 BF 01 00 00 70 B8 B1 13 BF 01 00 00
{87} normal block at 0x000001BF13B1B930, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001BF13B15D80, 16 bytes long.
Data: < £± ¿ > 20 A3 B1 13 BF 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001BF13B1A320, 40 bytes long.
Data: < ]± ¿ 0¹± ¿ > 80 5D B1 13 BF 01 00 00 30 B9 B1 13 BF 01 00 00
{64} normal block at 0x000001BF13B15C40, 16 bytes long.
Data: < ê Êö > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BF13B15E70, 16 bytes long.
Data: <@é Êö > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BF13B16230, 16 bytes long.
Data: <øW Êö > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BF13B16050, 16 bytes long.
Data: <ØW Êö > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BF13B160F0, 16 bytes long.
Data: <P Êö > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BF13B15E20, 16 bytes long.
Data: <0 Êö > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BF13B15650, 16 bytes long.
Data: <à Êö > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BF13B16140, 16 bytes long.
Data: < Êö > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001BF13B15B50, 16 bytes long.
Data: <p Êö > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001BF13B15CE0, 16 bytes long.
Data: < À‹Êö > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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