Task 38646014
| Name | test_136-GPUGRID_TEST_ATM_1000_20261023-0-1-RND3355_0 |
| Workunit | 31590973 |
| Created | 23 Oct 2026, 16:22:10 UTC |
| Sent | 23 Oct 2026, 16:46:06 UTC |
| Report deadline | 28 Oct 2026, 16:46:06 UTC |
| Received | 25 Oct 2026, 12:21:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 606178 |
| Run time | 23 min 33 sec |
| CPU time | 22 min 18 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 682.25 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
18:47:15 (27908): wrapper (7.9.26016): starting
18:47:15 (27908): 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
18:47:16 (27908): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:47:16 (27908): 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\1\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\1\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) : {3835174} normal block at 0x00000275930937F0, 8 bytes long.
Data: < Y u > 00 00 59 93 75 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000027593083B50, 1080 bytes long.
Data: < } H > AC 7D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002759308EB60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:00:45 (25876): wrapper (7.9.26016): starting
13:00:45 (25876): 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\1\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
13:20:16 (25876): C:/Windows/system32/cmd.exe exited; CPU time 1167.250000
13:20:16 (25876): 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: 21378344 bytes.
Dumping objects ->
{1604} normal block at 0x0000020B674B5930, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x0000020B674B58C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x0000020B674B5850, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x0000020B674B5E70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x0000020B674B5D20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x0000020B674A04F0, 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) : {1516} normal block at 0x0000020B674B7D20, 8 bytes long.
Data: < g > 00 00 A4 67 0B 02 00 00
{309} normal block at 0x0000020B674B8180, 8 bytes long.
Data: < Kg > A0 87 4B 67 0B 02 00 00
{300} normal block at 0x0000020B674A8090, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000020B674B74B0, 16 bytes long.
Data: < Kg > A8 86 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020B674B8310, 16 bytes long.
Data: < Kg > 80 86 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020B674B22A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000020B674B7E10, 16 bytes long.
Data: <X Kg > 58 86 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020B674B7A00, 16 bytes long.
Data: <0 Kg > 30 86 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020B674B7E60, 16 bytes long.
Data: < Kg > 08 86 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020B674B8130, 16 bytes long.
Data: < Kg > E0 85 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020B674B57E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000020B674B82C0, 16 bytes long.
Data: < Ig > D8 C6 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020B674B23C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000020B674B77D0, 16 bytes long.
Data: < Ig > B0 C6 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020B674B80E0, 16 bytes long.
Data: < Ig > 88 C6 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020B674B7D70, 16 bytes long.
Data: <` Ig > 60 C6 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020B674B75F0, 16 bytes long.
Data: <8 Ig > 38 C6 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020B674B7B90, 16 bytes long.
Data: < Ig > 10 C6 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020B674B7A50, 16 bytes long.
Data: < Ig > E8 C5 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020B674B2660, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000020B674B8040, 16 bytes long.
Data: < Ig > C0 C5 49 67 0B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020B6749C5C0, 320 bytes long.
Data: <@ Kg `&Kg > 40 80 4B 67 0B 02 00 00 60 26 4B 67 0B 02 00 00
{279} normal block at 0x0000020B674B7910, 16 bytes long.
Data: < Kg > C0 85 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020B674B7DC0, 16 bytes long.
Data: < Kg > 98 85 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020B674B1E20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000020B674B7640, 16 bytes long.
Data: <p Kg > 70 85 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020B674B2060, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000020B674B7F50, 16 bytes long.
Data: < Kg > B8 84 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020B674B7960, 16 bytes long.
Data: < Kg > 90 84 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020B674B7C30, 16 bytes long.
Data: <h Kg > 68 84 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020B674B8270, 16 bytes long.
Data: <@ Kg > 40 84 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020B674B7FA0, 16 bytes long.
Data: < Kg > 18 84 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020B674B81D0, 16 bytes long.
Data: < Kg > F0 83 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020B674B76E0, 16 bytes long.
Data: < \Kg > B0 5C 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020B674B5CB0, 40 bytes long.
Data: < vKg Jg > E0 76 4B 67 0B 02 00 00 F0 04 4A 67 0B 02 00 00
{265} normal block at 0x0000020B674B7CD0, 16 bytes long.
Data: < Kg > D0 83 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020B674B7C80, 16 bytes long.
Data: < Kg > A8 83 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020B674B1AC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000020B674B8090, 16 bytes long.
Data: < Kg > 80 83 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020B674B8380, 992 bytes long.
Data: < Kg Kg > 90 80 4B 67 0B 02 00 00 C0 1A 4B 67 0B 02 00 00
{97} normal block at 0x0000020B674B2540, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000020B674AF6F0, 16 bytes long.
Data: < ^Kg > 00 5E 4B 67 0B 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000020B674B5E00, 40 bytes long.
Data: < Jg @%Kg > F0 F6 4A 67 0B 02 00 00 40 25 4B 67 0B 02 00 00
{74} normal block at 0x0000020B674AFFB0, 16 bytes long.
Data: < > 80 EA BA 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020B674AF9C0, 16 bytes long.
Data: <@ > 40 E9 BA 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020B674B00F0, 16 bytes long.
Data: < W > F8 57 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020B674AF970, 16 bytes long.
Data: < W > D8 57 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020B674AF3D0, 16 bytes long.
Data: <P > 50 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020B674AF650, 16 bytes long.
Data: <0 > 30 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020B674AF290, 16 bytes long.
Data: < > E0 02 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020B674AF330, 16 bytes long.
Data: < > 10 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020B674AFAB0, 16 bytes long.
Data: <p > 70 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020B674AF600, 16 bytes long.
Data: < > 18 C0 B5 99 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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