Task 38680200
| Name | test_476-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4882_0 |
| Workunit | 31621932 |
| Created | 26 Oct 2026, 23:08:09 UTC |
| Sent | 26 Oct 2026, 23:08:10 UTC |
| Report deadline | 31 Oct 2026, 23:08:10 UTC |
| Received | 26 Oct 2026, 23:29:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646979 |
| Run time | 20 min 11 sec |
| CPU time | 17 min 19 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 | 766.74 MB |
| Peak swap size | 10.05 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:09:41 (30184): wrapper (7.9.26016): starting
08:09:41 (30184): 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
08:09:42 (30184): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:09:42 (30184): 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\25\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\25\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
08:29:07 (30184): C:/Windows/system32/cmd.exe exited; CPU time 1039.218750
08:29:07 (30184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 22487569 bytes.
Dumping objects ->
{3835586} normal block at 0x00000258B0DAC9D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835575} normal block at 0x00000258B0DAC5E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835564} normal block at 0x00000258AEC94A00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835553} normal block at 0x00000258AEC94990, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835542} normal block at 0x00000258AEC94920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835511} normal block at 0x00000258B0DFB100, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835500} normal block at 0x00000258B0E0CC00, 100 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) : {3835497} normal block at 0x00000258AEC8E530, 8 bytes long.
Data: < ƮX > 00 00 C6 AE 58 02 00 00
{3834771} normal block at 0x00000258B0E0C7A0, 100 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834061} normal block at 0x00000258AEC8F200, 8 bytes long.
Data: <@@ɮX > 40 40 C9 AE 58 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000258AEC90670, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000258AEC856C0, 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 0x00000258AEC95340, 16 bytes long.
Data: < PɮX > 18 50 C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000258AEC956B0, 16 bytes long.
Data: < OɮX > F0 4F C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000258AEC8CDC0, 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 0x00000258AEC95980, 16 bytes long.
Data: <ÈOÉ®X > C8 4F C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000258AEC95200, 16 bytes long.
Data: < OɮX > A0 4F C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000258AEC95390, 16 bytes long.
Data: <xOɮX > 78 4F C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000258AEC952A0, 16 bytes long.
Data: <POɮX > 50 4F C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000258AEC94A70, 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 0x00000258AEC95520, 16 bytes long.
Data: < ႨX > 88 B7 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000258AEC8D240, 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 0x00000258AEC95F70, 16 bytes long.
Data: <`ႨX > 60 B7 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000258AEC95BB0, 16 bytes long.
Data: <8ႨX > 38 B7 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000258AEC954D0, 16 bytes long.
Data: < ႨX > 10 B7 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000258AEC95D40, 16 bytes long.
Data: < ¶Ç®X > E8 B6 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000258AEC95DE0, 16 bytes long.
Data: <À¶Ç®X > C0 B6 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000258AEC95A70, 16 bytes long.
Data: < ¶Ç®X > 98 B6 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000258AEC8D1E0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{279} normal block at 0x00000258AEC957F0, 16 bytes long.
Data: <p¶Ç®X > 70 B6 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000258AEC7B670, 320 bytes long.
Data: < WÉ®X ÑÈ®X > F0 57 C9 AE 58 02 00 00 E0 D1 C8 AE 58 02 00 00
{277} normal block at 0x00000258AEC95CA0, 16 bytes long.
Data: <0OɮX > 30 4F C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000258AEC957A0, 16 bytes long.
Data: < OɮX > 08 4F C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000258AEC8CE80, 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 0x00000258AEC95E80, 16 bytes long.
Data: < NɮX > E0 4E C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000258AEC8D6C0, 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 0x00000258AEC952F0, 16 bytes long.
Data: <(NɮX > 28 4E C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000258AEC959D0, 16 bytes long.
Data: < NɮX > 00 4E C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000258AEC95250, 16 bytes long.
Data: <ØMÉ®X > D8 4D C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000258AEC95700, 16 bytes long.
Data: <°MÉ®X > B0 4D C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000258AEC95FC0, 16 bytes long.
Data: < MɮX > 88 4D C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000258AEC8E990, 16 bytes long.
Data: <`MɮX > 60 4D C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000258AEC8E4E0, 16 bytes long.
Data: <`GɮX > 60 47 C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000258AEC94760, 40 bytes long.
Data: < È®X ±ß°X > E0 E4 C8 AE 58 02 00 00 00 B1 DF B0 58 02 00 00
{263} normal block at 0x00000258AEC8E940, 16 bytes long.
Data: <@MɮX > 40 4D C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000258AEC8E800, 16 bytes long.
Data: < MɮX > 18 4D C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000258AEC8D540, 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 0x00000258AEC8F2A0, 16 bytes long.
Data: < LɮX > F0 4C C9 AE 58 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000258AEC94CF0, 992 bytes long.
Data: < È®X @ÕÈ®X > A0 F2 C8 AE 58 02 00 00 40 D5 C8 AE 58 02 00 00
{95} normal block at 0x00000258AEC8D720, 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 0x00000258AEC8EBC0, 16 bytes long.
Data: < ÃÇ®X > 90 C3 C7 AE 58 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000258AEC7C390, 40 bytes long.
Data: <À È®X ×È®X > C0 EB C8 AE 58 02 00 00 20 D7 C8 AE 58 02 00 00
{70} normal block at 0x00000258AEC8F250, 16 bytes long.
Data: < > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000258AEC8F430, 16 bytes long.
Data: <@ > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000258AEC8F390, 16 bytes long.
Data: < W > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000258AEC8F160, 16 bytes long.
Data: <ØW > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000258AEC8EE40, 16 bytes long.
Data: <P > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000258AEC8E6C0, 16 bytes long.
Data: <0 > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000258AEC8EC10, 16 bytes long.
Data: < > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000258AEC8EDF0, 16 bytes long.
Data: < > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000258AEC8EF30, 16 bytes long.
Data: <p > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000258AEC8F340, 16 bytes long.
Data: < À > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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