Task 38684899
| Name | test_136-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5696_0 |
| Workunit | 31626398 |
| Created | 27 Oct 2026, 18:27:41 UTC |
| Sent | 27 Oct 2026, 18:27:47 UTC |
| Report deadline | 1 Nov 2026, 18:27:47 UTC |
| Received | 27 Oct 2026, 23:53:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647670 |
| Run time | 39 min 46 sec |
| CPU time | 37 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,117.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 691.44 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
00:15:23 (5708): wrapper (7.9.26016): starting
00:15:23 (5708): 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
00:15:24 (5708): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:15:24 (5708): 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\6\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\6\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
00:53:36 (5708): C:/Windows/system32/cmd.exe exited; CPU time 2252.265625
00:53:36 (5708): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 39158609 bytes.
Dumping objects ->
{3835240} normal block at 0x000001DA82686070, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001DA82685D60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000001DA82685E40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x000001DA82685F20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000001DA82685C10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x000001DA8436B290, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001DA826DDA20, 144 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) : {3835151} normal block at 0x000001DA82680300, 8 bytes long.
Data: < ¯‚Ú > 00 00 AF 82 DA 01 00 00
{3834552} normal block at 0x000001DA826DD2D0, 144 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001DA8267F9F0, 8 bytes long.
Data: < éu‚Ú > 90 E9 75 82 DA 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DA82681830, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DA82676BD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001DA82686C70, 16 bytes long.
Data: < vh‚Ú > 18 76 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DA82686220, 16 bytes long.
Data: <ðuh‚Ú > F0 75 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DA82680D20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001DA82686E50, 16 bytes long.
Data: <Èuh‚Ú > C8 75 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DA826864F0, 16 bytes long.
Data: < uh‚Ú > A0 75 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DA82686C20, 16 bytes long.
Data: <xuh‚Ú > 78 75 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DA82686720, 16 bytes long.
Data: <Puh‚Ú > 50 75 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DA82685C80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001DA82686FE0, 16 bytes long.
Data: <¸›g‚Ú > B8 9B 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DA82680CC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001DA82686DB0, 16 bytes long.
Data: < ›g‚Ú > 90 9B 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DA82686450, 16 bytes long.
Data: <h›g‚Ú > 68 9B 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DA826861D0, 16 bytes long.
Data: <@›g‚Ú > 40 9B 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DA82686900, 16 bytes long.
Data: < ›g‚Ú > 18 9B 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DA82686D60, 16 bytes long.
Data: <ðšg‚Ú > F0 9A 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DA82686E00, 16 bytes long.
Data: <Èšg‚Ú > C8 9A 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DA826808A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001DA82686F90, 16 bytes long.
Data: < šg‚Ú > A0 9A 67 82 DA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DA82679AA0, 320 bytes long.
Data: < oh‚Ú   h‚Ú > 90 6F 68 82 DA 01 00 00 A0 08 68 82 DA 01 00 00
{274} normal block at 0x000001DA826864A0, 16 bytes long.
Data: <0uh‚Ú > 30 75 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DA82686310, 16 bytes long.
Data: < uh‚Ú > 08 75 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DA82680C60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001DA826866D0, 16 bytes long.
Data: <àth‚Ú > E0 74 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DA82680F60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001DA82686F40, 16 bytes long.
Data: <(th‚Ú > 28 74 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DA82686360, 16 bytes long.
Data: < th‚Ú > 00 74 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DA82686A90, 16 bytes long.
Data: <Øsh‚Ú > D8 73 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DA82686180, 16 bytes long.
Data: <°sh‚Ú > B0 73 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DA82686B80, 16 bytes long.
Data: < sh‚Ú > 88 73 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DA826870D0, 16 bytes long.
Data: <`sh‚Ú > 60 73 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DA826865E0, 16 bytes long.
Data: <0[h‚Ú > 30 5B 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DA82685B30, 40 bytes long.
Data: <àeh‚Ú ²6„Ú > E0 65 68 82 DA 01 00 00 90 B2 36 84 DA 01 00 00
{260} normal block at 0x000001DA82686590, 16 bytes long.
Data: <@sh‚Ú > 40 73 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DA82686680, 16 bytes long.
Data: < sh‚Ú > 18 73 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DA826813E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001DA826869F0, 16 bytes long.
Data: <ðrh‚Ú > F0 72 68 82 DA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001DA826872F0, 992 bytes long.
Data: <ðih‚Ú à h‚Ú > F0 69 68 82 DA 01 00 00 E0 13 68 82 DA 01 00 00
{92} normal block at 0x000001DA82681140, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001DA82680210, 16 bytes long.
Data: <àâf‚Ú > E0 E2 66 82 DA 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001DA8266E2E0, 40 bytes long.
Data: < h‚Ú @ h‚Ú > 10 02 68 82 DA 01 00 00 40 11 68 82 DA 01 00 00
{69} normal block at 0x000001DA8267FC70, 16 bytes long.
Data: < ê4 ÷ > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DA826803A0, 16 bytes long.
Data: <@é4 ÷ > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DA826802B0, 16 bytes long.
Data: <øW1 ÷ > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DA8267F680, 16 bytes long.
Data: <ØW1 ÷ > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DA8267FA90, 16 bytes long.
Data: <P 1 ÷ > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DA8267FBD0, 16 bytes long.
Data: <0 1 ÷ > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DA8267F9A0, 16 bytes long.
Data: <à 1 ÷ > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DA8267F900, 16 bytes long.
Data: < 1 ÷ > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DA8267FB30, 16 bytes long.
Data: <p 1 ÷ > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DA8267FAE0, 16 bytes long.
Data: < À/ ÷ > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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