Task 38687418

Name test_173-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5816_0
Workunit 31628809
Created 28 Oct 2026, 7:41:33 UTC
Sent 28 Oct 2026, 7:41:34 UTC
Report deadline 2 Nov 2026, 7:41:34 UTC
Received 28 Oct 2026, 8:12:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607579
Run time 30 min 32 sec
CPU time 28 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.41 MB
Peak swap size 9.93 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:42:32 (28056): wrapper (7.9.26016): starting
08:42:32 (28056): 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
08:42:33 (28056): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:42:33 (28056): 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
09:12:13 (28056): C:/Windows/system32/cmd.exe exited; CPU time 1724.390625
09:12:13 (28056): 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: 40943597 bytes.
Dumping objects ->
{3835569} normal block at 0x0000020013A09280, 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 0x0000020013A098A0, 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 0x00000200139E46B0, 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 0x00000200139E4640, 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 0x00000200139E4800, 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 0x00000200156F5EC0, 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) : {3835481} normal block at 0x00000200139DD650, 8 bytes long.
 Data: <  &#218;     > 00 00 DA 13 00 02 00 00 
{3833967} normal block at 0x00000200139DDA60, 8 bytes long.
 Data: < Bx     > 10 42 78 15 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000200139E0DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000200139CE2B0, 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 0x00000200139E55C0, 16 bytes long.
 Data: <hg&#158;             > 68 67 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000200139E5750, 16 bytes long.
 Data: <@g&#158;             > 40 67 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000200139DF9D0, 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 0x00000200139E6010, 16 bytes long.
 Data: < g&#158;             > 18 67 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000200139E5570, 16 bytes long.
 Data: <&#240;f&#158;             > F0 66 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000200139E5AC0, 16 bytes long.
 Data: <&#200;f&#158;             > C8 66 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000200139E61F0, 16 bytes long.
 Data: <&#160;f&#158;             > A0 66 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000200139E4BF0, 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 0x00000200139E60B0, 16 bytes long.
 Data: < &#234;              > 08 EA 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000200139DF7F0, 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 0x00000200139E5A70, 16 bytes long.
 Data: <&#224;&#233;              > E0 E9 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000200139E5610, 16 bytes long.
 Data: <&#184;&#233;              > B8 E9 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000200139E5480, 16 bytes long.
 Data: < &#233;              > 90 E9 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000200139E61A0, 16 bytes long.
 Data: <h&#233;              > 68 E9 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000200139E54D0, 16 bytes long.
 Data: <@&#233;              > 40 E9 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000200139E59D0, 16 bytes long.
 Data: < &#233;              > 18 E9 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000200139DF250, 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 0x00000200139E62E0, 16 bytes long.
 Data: <&#240;&#232;              > F0 E8 9D 13 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000200139DE8F0, 320 bytes long.
 Data: <&#224;b&#158;     P&#242;      > E0 62 9E 13 00 02 00 00 50 F2 9D 13 00 02 00 00 
{279} normal block at 0x00000200139E5890, 16 bytes long.
 Data: < f&#158;             > 80 66 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000200139E5980, 16 bytes long.
 Data: <Xf&#158;             > 58 66 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200139DF3D0, 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 0x00000200139E5930, 16 bytes long.
 Data: <0f&#158;             > 30 66 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000200139DEE90, 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 0x00000200139E5ED0, 16 bytes long.
 Data: <xe&#158;             > 78 65 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000200139E6290, 16 bytes long.
 Data: <Pe&#158;             > 50 65 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000200139E5DE0, 16 bytes long.
 Data: <(e&#158;             > 28 65 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000200139E6060, 16 bytes long.
 Data: < e&#158;             > 00 65 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200139E5BB0, 16 bytes long.
 Data: <&#216;d&#158;             > D8 64 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000200139E5A20, 16 bytes long.
 Data: <&#176;d&#158;             > B0 64 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000200139E5520, 16 bytes long.
 Data: <PI&#158;             > 50 49 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000200139E4950, 40 bytes long.
 Data: < U&#158;     &#192;^o     > 20 55 9E 13 00 02 00 00 C0 5E 6F 15 00 02 00 00 
{265} normal block at 0x00000200139E6150, 16 bytes long.
 Data: < d&#158;             > 90 64 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000200139E63D0, 16 bytes long.
 Data: <hd&#158;             > 68 64 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000200139DF850, 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 0x00000200139E58E0, 16 bytes long.
 Data: <@d&#158;             > 40 64 9E 13 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000200139E6440, 992 bytes long.
 Data: <&#224;X&#158;     P&#248;      > E0 58 9E 13 00 02 00 00 50 F8 9D 13 00 02 00 00 
{97} normal block at 0x00000200139DF6D0, 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 0x00000200139DD600, 16 bytes long.
 Data: <&#208;&#214;&#156;             > D0 D6 9C 13 00 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000200139CD6D0, 40 bytes long.
 Data: < &#214;      &#208;&#246;      > 00 D6 9D 13 00 02 00 00 D0 F6 9D 13 00 02 00 00 
{74} normal block at 0x00000200139DD100, 16 bytes long.
 Data: < &#234; F&#247;           > 80 EA 10 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000200139DD5B0, 16 bytes long.
 Data: <@&#233; F&#247;           > 40 E9 10 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000200139DD6A0, 16 bytes long.
 Data: <&#248;W F&#247;           > F8 57 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000200139DDEC0, 16 bytes long.
 Data: <&#216;W F&#247;           > D8 57 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000200139DD4C0, 16 bytes long.
 Data: <P  F&#247;           > 50 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000200139DD510, 16 bytes long.
 Data: <0  F&#247;           > 30 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000200139DD9C0, 16 bytes long.
 Data: <&#224;  F&#247;           > E0 02 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000200139DD560, 16 bytes long.
 Data: <   F&#247;           > 10 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000200139DD470, 16 bytes long.
 Data: <p  F&#247;           > 70 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000200139DDB00, 16 bytes long.
 Data: < &#192; F&#247;           > 18 C0 0B 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra