Task 38674441
| Name | test_758-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3387_0 |
| Workunit | 31616476 |
| Created | 26 Oct 2026, 5:17:11 UTC |
| Sent | 26 Oct 2026, 5:17:17 UTC |
| Report deadline | 31 Oct 2026, 5:17:17 UTC |
| Received | 26 Oct 2026, 5:53:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604231 |
| Run time | 28 min 31 sec |
| CPU time | 27 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.70 MB |
| Peak swap size | 13.14 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:22:04 (15564): wrapper (7.9.26016): starting
00:22:04 (15564): 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
00:22:05 (15564): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:22:05 (15564): 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 'M:\BOINC\slots\24\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 'M:\BOINC\slots\24\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
00:51:41 (15564): C:/Windows/system32/cmd.exe exited; CPU time 1623.421875
00:51:41 (15564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32554171 bytes.
Dumping objects ->
{3835626} normal block at 0x000001BF89E84E40, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835615} normal block at 0x000001BF8BBC1760, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835604} normal block at 0x000001BF8BBC2240, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835593} normal block at 0x000001BF8BBC1880, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835582} normal block at 0x000001BF8BBC1D60, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{3835551} normal block at 0x000001BF89E849E0, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835540} normal block at 0x000001BF89E7B230, 200 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) : {3835537} normal block at 0x000001BF89E7DD10, 8 bytes long.
Data: < %Š¿ > 00 00 25 8A BF 01 00 00
{3834737} normal block at 0x000001BF89E7AAC0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001BF89E7DA40, 8 bytes long.
Data: <°ã¨‹¿ > B0 E3 A8 8B BF 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001BF89E81130, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001BF89E75F60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001BF89E86360, 16 bytes long.
Data: <Øh艿 > D8 68 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BF89E85BE0, 16 bytes long.
Data: <°h艿 > B0 68 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BF89E7F3C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001BF89E85820, 16 bytes long.
Data: < h艿 > 88 68 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BF89E863B0, 16 bytes long.
Data: <`h艿 > 60 68 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BF89E86310, 16 bytes long.
Data: <8h艿 > 38 68 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BF89E856E0, 16 bytes long.
Data: < h艿 > 10 68 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BF89E84B30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001BF89E86270, 16 bytes long.
Data: <(õ承 > 28 F5 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BF89E7F360, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001BF89E85D20, 16 bytes long.
Data: < õ承 > 00 F5 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BF89E86040, 16 bytes long.
Data: <Øô承 > D8 F4 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BF89E85FF0, 16 bytes long.
Data: <°ô承 > B0 F4 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BF89E86220, 16 bytes long.
Data: < ô承 > 88 F4 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BF89E86180, 16 bytes long.
Data: <`ô承 > 60 F4 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BF89E85690, 16 bytes long.
Data: <8ô承 > 38 F4 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BF89E7F180, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001BF89E85FA0, 16 bytes long.
Data: < ô承 > 10 F4 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BF89E6F410, 320 bytes long.
Data: < _艿 ñ牿 > A0 5F E8 89 BF 01 00 00 80 F1 E7 89 BF 01 00 00
{277} normal block at 0x000001BF89E86400, 16 bytes long.
Data: <ðg艿 > F0 67 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BF89E860E0, 16 bytes long.
Data: <Èg艿 > C8 67 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BF89E7ED60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001BF89E85F00, 16 bytes long.
Data: < g艿 > A0 67 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BF89E7ED00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001BF89E857D0, 16 bytes long.
Data: <èf艿 > E8 66 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BF89E86090, 16 bytes long.
Data: <Àf艿 > C0 66 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BF89E86130, 16 bytes long.
Data: < f艿 > 98 66 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BF89E861D0, 16 bytes long.
Data: <pf艿 > 70 66 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BF89E85640, 16 bytes long.
Data: <Hf艿 > 48 66 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BF89E862C0, 16 bytes long.
Data: < f艿 > 20 66 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BF89E85F50, 16 bytes long.
Data: < P艿 > 00 50 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BF89E85000, 40 bytes long.
Data: <P_艿 àI艿 > 50 5F E8 89 BF 01 00 00 E0 49 E8 89 BF 01 00 00
{263} normal block at 0x000001BF89E85A00, 16 bytes long.
Data: < f艿 > 00 66 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BF89E85CD0, 16 bytes long.
Data: <Øe艿 > D8 65 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BF89E7ECA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001BF89E85780, 16 bytes long.
Data: <°e艿 > B0 65 E8 89 BF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BF89E865B0, 992 bytes long.
Data: < W艿  ì牿 > 80 57 E8 89 BF 01 00 00 A0 EC E7 89 BF 01 00 00
{95} normal block at 0x000001BF89E7F960, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001BF89E7DE50, 16 bytes long.
Data: <Àç承 > C0 E7 E6 89 BF 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001BF89E6E7C0, 40 bytes long.
Data: <PÞ牿 `ù牿 > 50 DE E7 89 BF 01 00 00 60 F9 E7 89 BF 01 00 00
{72} normal block at 0x000001BF89E7D4A0, 16 bytes long.
Data: < ê×Z÷ > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BF89E7E120, 16 bytes long.
Data: <@é×Z÷ > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BF89E7DCC0, 16 bytes long.
Data: <øWÔZ÷ > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BF89E7DF40, 16 bytes long.
Data: <ØWÔZ÷ > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BF89E7D9F0, 16 bytes long.
Data: <P ÔZ÷ > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BF89E7D8B0, 16 bytes long.
Data: <0 ÔZ÷ > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BF89E7D680, 16 bytes long.
Data: <à ÔZ÷ > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BF89E7D4F0, 16 bytes long.
Data: < ÔZ÷ > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BF89E7E210, 16 bytes long.
Data: <p ÔZ÷ > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BF89E7E2B0, 16 bytes long.
Data: < ÀÒZ÷ > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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