Task 38681147
| Name | test_92-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3868_1 |
| Workunit | 31622808 |
| Created | 27 Oct 2026, 2:52:28 UTC |
| Sent | 27 Oct 2026, 2:52:32 UTC |
| Report deadline | 1 Nov 2026, 2:52:32 UTC |
| Received | 27 Oct 2026, 3:27:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604231 |
| Run time | 27 min 31 sec |
| CPU time | 27 min 31 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 | 742.45 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:56:22 (24604): wrapper (7.9.26016): starting
21:56:22 (24604): 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
21:56:23 (24604): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:56:23 (24604): 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\30\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\30\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
22:25:09 (24604): C:/Windows/system32/cmd.exe exited; CPU time 1651.218750
22:25:09 (24604): 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: 32234159 bytes.
Dumping objects ->
{3835626} normal block at 0x0000025909EE5070, 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 0x000002590BC913A0, 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 0x000002590BC921E0, 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 0x000002590BC915E0, 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 0x000002590BC91640, 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 0x0000025909EE4C10, 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 0x0000025909EDA9B0, 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 0x0000025909EDE170, 8 bytes long.
Data: < 0 Y > 00 00 30 0A 59 02 00 00
{3834737} normal block at 0x0000025909EDADF0, 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 0x0000025909EDDA90, 8 bytes long.
Data: <°ãµ Y > B0 E3 B5 0B 59 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025909EE0C30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025909ED6230, 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 0x0000025909EE5870, 16 bytes long.
Data: <Øhî Y > D8 68 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025909EE6400, 16 bytes long.
Data: <°hî Y > B0 68 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025909EDEDC0, 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 0x0000025909EE5AA0, 16 bytes long.
Data: < hî Y > 88 68 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025909EE6180, 16 bytes long.
Data: <`hî Y > 60 68 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025909EE63B0, 16 bytes long.
Data: <8hî Y > 38 68 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025909EE6450, 16 bytes long.
Data: < hî Y > 10 68 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025909EE4E40, 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 0x0000025909EE5A50, 16 bytes long.
Data: <(õì Y > 28 F5 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025909EDF9C0, 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 0x0000025909EE64F0, 16 bytes long.
Data: < õì Y > 00 F5 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025909EE6040, 16 bytes long.
Data: <Øôì Y > D8 F4 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025909EE5C80, 16 bytes long.
Data: <°ôì Y > B0 F4 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025909EE6360, 16 bytes long.
Data: < ôì Y > 88 F4 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025909EE5E10, 16 bytes long.
Data: <`ôì Y > 60 F4 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025909EE5640, 16 bytes long.
Data: <8ôì Y > 38 F4 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025909EDF7E0, 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 0x0000025909EE62C0, 16 bytes long.
Data: < ôì Y > 10 F4 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025909ECF410, 320 bytes long.
Data: <Àbî Y à÷í Y > C0 62 EE 09 59 02 00 00 E0 F7 ED 09 59 02 00 00
{277} normal block at 0x0000025909EE6310, 16 bytes long.
Data: <ðgî Y > F0 67 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025909EE6270, 16 bytes long.
Data: <Ègî Y > C8 67 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025909EDEC40, 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 0x0000025909EE5EB0, 16 bytes long.
Data: < gî Y > A0 67 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025909EDEBE0, 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 0x0000025909EE5780, 16 bytes long.
Data: <èfî Y > E8 66 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025909EE56E0, 16 bytes long.
Data: <Àfî Y > C0 66 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025909EE5AF0, 16 bytes long.
Data: < fî Y > 98 66 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025909EE64A0, 16 bytes long.
Data: <pfî Y > 70 66 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025909EE5B40, 16 bytes long.
Data: <Hfî Y > 48 66 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025909EE5D20, 16 bytes long.
Data: < fî Y > 20 66 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025909EE5730, 16 bytes long.
Data: <PJî Y > 50 4A EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025909EE4A50, 40 bytes long.
Data: <0Wî Y Lî Y > 30 57 EE 09 59 02 00 00 10 4C EE 09 59 02 00 00
{263} normal block at 0x0000025909EE5FF0, 16 bytes long.
Data: < fî Y > 00 66 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025909EE6130, 16 bytes long.
Data: <Øeî Y > D8 65 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025909EDEFA0, 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 0x0000025909EE60E0, 16 bytes long.
Data: <°eî Y > B0 65 EE 09 59 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025909EE65B0, 992 bytes long.
Data: <à`î Y  ïí Y > E0 60 EE 09 59 02 00 00 A0 EF ED 09 59 02 00 00
{95} normal block at 0x0000025909EDEE20, 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 0x0000025909EDDC70, 16 bytes long.
Data: <`æì Y > 60 E6 EC 09 59 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000025909ECE660, 40 bytes long.
Data: <pÜí Y îí Y > 70 DC ED 09 59 02 00 00 20 EE ED 09 59 02 00 00
{72} normal block at 0x0000025909EDE260, 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 0x0000025909EDD860, 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 0x0000025909EDDC20, 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 0x0000025909EDD9F0, 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 0x0000025909EDD360, 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 0x0000025909EDDEA0, 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 0x0000025909EDDB80, 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 0x0000025909EDDF40, 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 0x0000025909EDD400, 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 0x0000025909EDE030, 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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