Task 38681299
| Name | test_427-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3387_3 |
| Workunit | 31622272 |
| Created | 27 Oct 2026, 3:26:45 UTC |
| Sent | 27 Oct 2026, 3:26:45 UTC |
| Report deadline | 1 Nov 2026, 3:26:45 UTC |
| Received | 27 Oct 2026, 4:39:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648092 |
| Run time | 20 min 34 sec |
| CPU time | 19 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,700.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.67 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:15:46 (16760): wrapper (7.9.26016): starting
23:15:46 (16760): 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
23:15:47 (16760): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:15:47 (16760): 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
23:35:48 (16760): C:/Windows/system32/cmd.exe exited; CPU time 1198.875000
23:35:48 (16760): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15297839 bytes.
Dumping objects ->
{3835569} normal block at 0x000001C0D3833CF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x000001C0D3833C80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x000001C0D3833DD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x000001C0D3833890, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x000001C0D3833AC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x000001C0D56683D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x000001C0D381B790, 235 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) : {3835480} normal block at 0x000001C0D382E550, 8 bytes long.
Data: < ñÓÀ > 00 00 F1 D3 C0 01 00 00
{3834703} normal block at 0x000001C0D55718F0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001C0D382EC30, 8 bytes long.
Data: <pÖ ÓÀ > 70 D6 81 D3 C0 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C0D3830B60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C0D381E5E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001C0D3834F00, 16 bytes long.
Data: <(XƒÓÀ > 28 58 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C0D3834D20, 16 bytes long.
Data: < XƒÓÀ > 00 58 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C0D382F570, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001C0D3834CD0, 16 bytes long.
Data: <ØWƒÓÀ > D8 57 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C0D3834230, 16 bytes long.
Data: <°WƒÓÀ > B0 57 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C0D38345A0, 16 bytes long.
Data: < WƒÓÀ > 88 57 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C0D38346E0, 16 bytes long.
Data: <`WƒÓÀ > 60 57 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C0D381FC30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001C0D3834730, 16 bytes long.
Data: <Xó ÓÀ > 58 F3 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C0D382EE50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001C0D3834C80, 16 bytes long.
Data: <0ó ÓÀ > 30 F3 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C0D38342D0, 16 bytes long.
Data: < ó ÓÀ > 08 F3 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C0D3834960, 16 bytes long.
Data: <àò ÓÀ > E0 F2 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C0D3834370, 16 bytes long.
Data: <¸ò ÓÀ > B8 F2 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C0D3834780, 16 bytes long.
Data: < ò ÓÀ > 90 F2 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C0D3834C30, 16 bytes long.
Data: <hò ÓÀ > 68 F2 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C0D382EEB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001C0D3835090, 16 bytes long.
Data: <@ò ÓÀ > 40 F2 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C0D381F240, 320 bytes long.
Data: < PƒÓÀ °î‚ÓÀ > 90 50 83 D3 C0 01 00 00 B0 EE 82 D3 C0 01 00 00
{273} normal block at 0x000001C0D38345F0, 16 bytes long.
Data: <@WƒÓÀ > 40 57 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C0D3834910, 16 bytes long.
Data: < WƒÓÀ > 18 57 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C0D382F750, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001C0D3834F50, 16 bytes long.
Data: <ðVƒÓÀ > F0 56 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C0D382F2D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001C0D38349B0, 16 bytes long.
Data: <8VƒÓÀ > 38 56 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C0D3834BE0, 16 bytes long.
Data: < VƒÓÀ > 10 56 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C0D3834140, 16 bytes long.
Data: <èUƒÓÀ > E8 55 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C0D3834B90, 16 bytes long.
Data: <ÀUƒÓÀ > C0 55 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C0D3834B40, 16 bytes long.
Data: < UƒÓÀ > 98 55 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C0D38343C0, 16 bytes long.
Data: <pUƒÓÀ > 70 55 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C0D3835040, 16 bytes long.
Data: < ü ÓÀ > A0 FC 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C0D381FCA0, 40 bytes long.
Data: <@PƒÓÀ ЃfÕÀ > 40 50 83 D3 C0 01 00 00 D0 83 66 D5 C0 01 00 00
{259} normal block at 0x000001C0D3834320, 16 bytes long.
Data: <PUƒÓÀ > 50 55 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C0D3834A50, 16 bytes long.
Data: <(UƒÓÀ > 28 55 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C0D382F810, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001C0D3834A00, 16 bytes long.
Data: < UƒÓÀ > 00 55 83 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C0D3835500, 992 bytes long.
Data: < JƒÓÀ ø‚ÓÀ > 00 4A 83 D3 C0 01 00 00 10 F8 82 D3 C0 01 00 00
{91} normal block at 0x000001C0D382FB10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001C0D382E320, 16 bytes long.
Data: <pÅ ÓÀ > 70 C5 81 D3 C0 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001C0D381C570, 40 bytes long.
Data: < ã‚ÓÀ û‚ÓÀ > 20 E3 82 D3 C0 01 00 00 10 FB 82 D3 C0 01 00 00
{68} normal block at 0x000001C0D382E6E0, 16 bytes long.
Data: < ꮼö > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C0D382DE70, 16 bytes long.
Data: <@鮼ö > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C0D382E0A0, 16 bytes long.
Data: <øW«¼ö > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C0D382E640, 16 bytes long.
Data: <ØW«¼ö > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C0D382DF60, 16 bytes long.
Data: <P «¼ö > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C0D382EB90, 16 bytes long.
Data: <0 «¼ö > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C0D382EB40, 16 bytes long.
Data: <à «¼ö > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C0D382EAF0, 16 bytes long.
Data: < «¼ö > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C0D382ECD0, 16 bytes long.
Data: <p «¼ö > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C0D382E9B0, 16 bytes long.
Data: < À©¼ö > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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