Task 38659626
| Name | test_1587-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5799_0 |
| Workunit | 31603168 |
| Created | 24 Oct 2026, 13:31:55 UTC |
| Sent | 24 Oct 2026, 15:55:51 UTC |
| Report deadline | 29 Oct 2026, 15:55:51 UTC |
| Received | 26 Oct 2026, 6:18:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 622645 |
| Run time | 17 min 1 sec |
| CPU time | 15 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 46,093.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.62 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:55:47 (30080): wrapper (7.9.26016): starting
18:55:47 (30080): 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
18:55:48 (30080): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:55:48 (30080): 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\0\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\0\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
19:11:53 (30080): C:/Windows/system32/cmd.exe exited; CPU time 959.406250
19:11:53 (30080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20108005 bytes.
Dumping objects ->
{3835277} normal block at 0x0000024DC39DD9D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x0000024DC39DD490, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x0000024DC1E74D60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x0000024DC1E753F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000024DC1E74E40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x0000024DC3A2AB80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x0000024DC3A3F5A0, 102 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) : {3835188} normal block at 0x0000024DC1E6F820, 8 bytes long.
Data: < !ÂM > 00 00 21 C2 4D 02 00 00
{3834570} normal block at 0x0000024DC3A3E7E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000024DC1E6FA50, 8 bytes long.
Data: <°B¨ÃM > B0 42 A8 C3 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024DC1E6DE60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024DC1E65B40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000024DC1E764E0, 16 bytes long.
Data: <èkçÁM > E8 6B E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024DC1E76080, 16 bytes long.
Data: <ÀkçÁM > C0 6B E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024DC1E701B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000024DC1E76800, 16 bytes long.
Data: < kçÁM > 98 6B E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024DC1E75F90, 16 bytes long.
Data: <pkçÁM > 70 6B E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024DC1E75C20, 16 bytes long.
Data: <HkçÁM > 48 6B E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024DC1E76260, 16 bytes long.
Data: < kçÁM > 20 6B E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024DC1E74F20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000024DC1E75900, 16 bytes long.
Data: < ýåÁM > 88 FD E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024DC1E70870, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000024DC1E759A0, 16 bytes long.
Data: <`ýåÁM > 60 FD E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024DC1E75BD0, 16 bytes long.
Data: <8ýåÁM > 38 FD E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024DC1E75B80, 16 bytes long.
Data: < ýåÁM > 10 FD E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024DC1E75AE0, 16 bytes long.
Data: <èüåÁM > E8 FC E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DC1E76210, 16 bytes long.
Data: <ÀüåÁM > C0 FC E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024DC1E760D0, 16 bytes long.
Data: < üåÁM > 98 FC E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024DC1E6FF70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000024DC1E76350, 16 bytes long.
Data: <püåÁM > 70 FC E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024DC1E5FC70, 320 bytes long.
Data: <PcçÁM pÿæÁM > 50 63 E7 C1 4D 02 00 00 70 FF E6 C1 4D 02 00 00
{276} normal block at 0x0000024DC1E76760, 16 bytes long.
Data: < kçÁM > 00 6B E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024DC1E76490, 16 bytes long.
Data: <ØjçÁM > D8 6A E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024DC1E702D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000024DC1E76850, 16 bytes long.
Data: <°jçÁM > B0 6A E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024DC1E70810, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000024DC1E75950, 16 bytes long.
Data: <øiçÁM > F8 69 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024DC1E76670, 16 bytes long.
Data: <ÐiçÁM > D0 69 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024DC1E75B30, 16 bytes long.
Data: <¨içÁM > A8 69 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024DC1E75A90, 16 bytes long.
Data: < içÁM > 80 69 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024DC1E75A40, 16 bytes long.
Data: <XiçÁM > 58 69 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024DC1E76170, 16 bytes long.
Data: <0içÁM > 30 69 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024DC1E759F0, 16 bytes long.
Data: <ÀQçÁM > C0 51 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024DC1E751C0, 40 bytes long.
Data: <ðYçÁM «¢ÃM > F0 59 E7 C1 4D 02 00 00 80 AB A2 C3 4D 02 00 00
{262} normal block at 0x0000024DC1E76710, 16 bytes long.
Data: < içÁM > 10 69 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024DC1E76440, 16 bytes long.
Data: <èhçÁM > E8 68 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024DC1E70B70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000024DC1E75F40, 16 bytes long.
Data: <ÀhçÁM > C0 68 E7 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024DC1E768C0, 992 bytes long.
Data: <@_çÁM p çÁM > 40 5F E7 C1 4D 02 00 00 70 0B E7 C1 4D 02 00 00
{94} normal block at 0x0000024DC1E70B10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000024DC1E6FC80, 16 bytes long.
Data: <ðçåÁM > F0 E7 E5 C1 4D 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000024DC1E5E7F0, 40 bytes long.
Data: < üæÁM çÁM > 80 FC E6 C1 4D 02 00 00 10 0B E7 C1 4D 02 00 00
{71} normal block at 0x0000024DC1E6EE20, 16 bytes long.
Data: < ꑯ÷ > 80 EA 91 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024DC1E6F4B0, 16 bytes long.
Data: <@鑯÷ > 40 E9 91 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024DC1E6F780, 16 bytes long.
Data: <øWŽ¯÷ > F8 57 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024DC1E6F500, 16 bytes long.
Data: <ØWŽ¯÷ > D8 57 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024DC1E6FC30, 16 bytes long.
Data: <P Ž¯÷ > 50 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024DC1E6FCD0, 16 bytes long.
Data: <0 Ž¯÷ > 30 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024DC1E6F230, 16 bytes long.
Data: <à Ž¯÷ > E0 02 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024DC1E6F1E0, 16 bytes long.
Data: < Ž¯÷ > 10 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024DC1E6EF60, 16 bytes long.
Data: <p Ž¯÷ > 70 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024DC1E6F320, 16 bytes long.
Data: < ÀŒ¯÷ > 18 C0 8C AF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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