Task 38698349
| Name | test_288-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8924_0 |
| Workunit | 31638872 |
| Created | 2 Nov 2026, 10:39:09 UTC |
| Sent | 2 Nov 2026, 10:39:14 UTC |
| Report deadline | 7 Nov 2026, 10:39:14 UTC |
| Received | 2 Nov 2026, 13:33:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605459 |
| Run time | 2 hours 15 min 4 sec |
| CPU time | 2 hours 12 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,097.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.62 MB |
| Peak swap size | 6.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:41:17 (96080): wrapper (7.9.26016): starting
07:41:17 (96080): 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
07:41:19 (96080): Library/usr/bin/tar.exe exited; CPU time 0.046875
07:41:19 (96080): 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\18\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\18\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835344} normal block at 0x000001A163C3CE90, 8 bytes long.
Data: < c > 00 00 F7 63 A1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001A1660C4150, 1080 bytes long.
Data: < u T > F4 75 01 00 CD CD CD CD 54 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A163C309E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:25:22 (92380): wrapper (7.9.26016): starting
10:25:22 (92380): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\18\tmp existe d‚j….
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
10:32:25 (92380): C:/Windows/system32/cmd.exe exited; CPU time 338.281250
10:32:25 (92380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 7500897 bytes.
Dumping objects ->
{1776} normal block at 0x0000023AFD803630, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1765} normal block at 0x0000023AFD8030F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1754} normal block at 0x0000023AFD8035C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1743} normal block at 0x0000023AFD803010, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1732} normal block at 0x0000023AFD803550, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1701} normal block at 0x0000023AFD7EF0F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1688} normal block at 0x0000023AFD804950, 8 bytes long.
Data: < : > 00 00 EA FD 3A 02 00 00
{307} normal block at 0x0000023AFD8057B0, 8 bytes long.
Data: <@\ : > 40 5C 80 FD 3A 02 00 00
{298} normal block at 0x0000023AFD7F83F0, 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 0x0000023AFD804BD0, 16 bytes long.
Data: <H[ : > 48 5B 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023AFD804D60, 16 bytes long.
Data: < [ : > 20 5B 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023AFD7FFBE0, 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 0x0000023AFD804900, 16 bytes long.
Data: < Z : > F8 5A 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023AFD804E50, 16 bytes long.
Data: < Z : > D0 5A 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023AFD8048B0, 16 bytes long.
Data: < Z : > A8 5A 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023AFD804B80, 16 bytes long.
Data: < Z : > 80 5A 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023AFD803470, 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 0x0000023AFD804860, 16 bytes long.
Data: <h ~ : > 68 F4 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023AFD800060, 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 0x0000023AFD805300, 16 bytes long.
Data: <@ ~ : > 40 F4 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023AFD804EA0, 16 bytes long.
Data: < ~ : > 18 F4 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023AFD805670, 16 bytes long.
Data: < ~ : > F0 F3 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023AFD804E00, 16 bytes long.
Data: < ~ : > C8 F3 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023AFD805030, 16 bytes long.
Data: < ~ : > A0 F3 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023AFD805210, 16 bytes long.
Data: <x ~ : > 78 F3 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023AFD7FFF40, 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 0x0000023AFD8053F0, 16 bytes long.
Data: <P ~ : > 50 F3 7E FD 3A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023AFD7EF350, 320 bytes long.
Data: < S : @ : > F0 53 80 FD 3A 02 00 00 40 FF 7F FD 3A 02 00 00
{277} normal block at 0x0000023AFD805440, 16 bytes long.
Data: <`Z : > 60 5A 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023AFD804F40, 16 bytes long.
Data: <8Z : > 38 5A 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023AFD800A80, 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 0x0000023AFD804C20, 16 bytes long.
Data: < Z : > 10 5A 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023AFD800360, 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 0x0000023AFD805620, 16 bytes long.
Data: <XY : > 58 59 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023AFD805760, 16 bytes long.
Data: <0Y : > 30 59 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023AFD804EF0, 16 bytes long.
Data: < Y : > 08 59 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023AFD8055D0, 16 bytes long.
Data: < X : > E0 58 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023AFD804D10, 16 bytes long.
Data: < X : > B8 58 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023AFD804DB0, 16 bytes long.
Data: < X : > 90 58 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023AFD804CC0, 16 bytes long.
Data: < 7 : > 10 37 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023AFD803710, 40 bytes long.
Data: < L : ~ : > C0 4C 80 FD 3A 02 00 00 F0 F0 7E FD 3A 02 00 00
{263} normal block at 0x0000023AFD8052B0, 16 bytes long.
Data: <pX : > 70 58 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023AFD804FE0, 16 bytes long.
Data: <HX : > 48 58 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023AFD800300, 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 0x0000023AFD8054E0, 16 bytes long.
Data: < X : > 20 58 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023AFD805820, 992 bytes long.
Data: < T : : > E0 54 80 FD 3A 02 00 00 00 03 80 FD 3A 02 00 00
{95} normal block at 0x0000023AFD800840, 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 0x0000023AFD7FC5D0, 16 bytes long.
Data: < 0 : > 80 30 80 FD 3A 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000023AFD803080, 40 bytes long.
Data: < : @ : > D0 C5 7F FD 3A 02 00 00 40 08 80 FD 3A 02 00 00
{72} normal block at 0x0000023AFD7FCEE0, 16 bytes long.
Data: < >p > 80 EA 3E 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023AFD7FCDF0, 16 bytes long.
Data: <@ >p > 40 E9 3E 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023AFD7FC8A0, 16 bytes long.
Data: < W;p > F8 57 3B 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023AFD7FC530, 16 bytes long.
Data: < W;p > D8 57 3B 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023AFD7FCE90, 16 bytes long.
Data: <P ;p > 50 04 3B 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023AFD7FC350, 16 bytes long.
Data: <0 ;p > 30 04 3B 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023AFD7FCB70, 16 bytes long.
Data: < ;p > E0 02 3B 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023AFD7FC4E0, 16 bytes long.
Data: < ;p > 10 04 3B 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023AFD7FCE40, 16 bytes long.
Data: <p ;p > 70 04 3B 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023AFD7FCA30, 16 bytes long.
Data: < 9p > 18 C0 39 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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