Task 38676691

Name test_267-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5916_0
Workunit 31618593
Created 26 Oct 2026, 12:03:30 UTC
Sent 26 Oct 2026, 12:03:39 UTC
Report deadline 31 Oct 2026, 12:03:39 UTC
Received 26 Oct 2026, 13:11:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652152
Run time 1 hours 6 min 33 sec
CPU time 58 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,462.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.96 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:07:49 (14672): wrapper (7.9.26016): starting
08:07:49 (14672): 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
08:07:52 (14672): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:07:52 (14672): 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\14\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\14\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
09:11:36 (14672): C:/Windows/system32/cmd.exe exited; CPU time 3505.093750
09:11:36 (14672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 55892027 bytes.
Dumping objects ->
{3835310} normal block at 0x0000023D924112D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x0000023D92411EA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x0000023D92411CE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835277} normal block at 0x0000023D92411E30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000023D92411A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835235} normal block at 0x0000023D925080B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000023D9251FB50, 102 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) : {3835221} normal block at 0x0000023D908882F0, 8 bytes long.
 Data: <  /&#146;=   > 00 00 2F 92 3D 02 00 00 
{3834583} normal block at 0x0000023D9251F1B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000023D90888250, 8 bytes long.
 Data: <&#176;DV&#146;=   > B0 44 56 92 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023D90891D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023D90876A40, 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 0x0000023D90892E80, 16 bytes long.
 Data: < T&#137; =           > 88 54 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023D90893880, 16 bytes long.
 Data: <`T&#137; =           > 60 54 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023D9088D4F0, 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 0x0000023D90892D90, 16 bytes long.
 Data: <8T&#137; =           > 38 54 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023D90893CE0, 16 bytes long.
 Data: < T&#137; =           > 10 54 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023D90893830, 16 bytes long.
 Data: <&#232;S&#137; =           > E8 53 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023D90893C90, 16 bytes long.
 Data: <&#192;S&#137; =           > C0 53 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023D9088C690, 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 0x0000023D90892FC0, 16 bytes long.
 Data: <&#216;i&#135; =           > D8 69 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023D9088D610, 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 0x0000023D908931F0, 16 bytes long.
 Data: <&#176;i&#135; =           > B0 69 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023D90893C40, 16 bytes long.
 Data: < i&#135; =           > 88 69 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023D90893790, 16 bytes long.
 Data: <`i&#135; =           > 60 69 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023D90893740, 16 bytes long.
 Data: <8i&#135; =           > 38 69 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023D90893010, 16 bytes long.
 Data: < i&#135; =           > 10 69 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023D908936F0, 16 bytes long.
 Data: <&#232;h&#135; =           > E8 68 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023D9088D7F0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x0000023D90893AB0, 16 bytes long.
 Data: <&#192;h&#135; =           > C0 68 87 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023D908768C0, 320 bytes long.
 Data: <&#176;:&#137; =   &#240;&#215;  =   > B0 3A 89 90 3D 02 00 00 F0 D7 88 90 3D 02 00 00 
{277} normal block at 0x0000023D90893560, 16 bytes long.
 Data: <&#160;S&#137; =           > A0 53 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023D908936A0, 16 bytes long.
 Data: <xS&#137; =           > 78 53 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023D9088D490, 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 0x0000023D90893380, 16 bytes long.
 Data: <PS&#137; =           > 50 53 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023D9088D730, 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 0x0000023D90893BF0, 16 bytes long.
 Data: < R&#137; =           > 98 52 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023D908937E0, 16 bytes long.
 Data: <pR&#137; =           > 70 52 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023D90893510, 16 bytes long.
 Data: <HR&#137; =           > 48 52 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023D90893BA0, 16 bytes long.
 Data: < R&#137; =           > 20 52 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023D90892F20, 16 bytes long.
 Data: <&#248;Q&#137; =           > F8 51 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023D908939C0, 16 bytes long.
 Data: <&#208;Q&#137; =           > D0 51 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023D908934C0, 16 bytes long.
 Data: <&#192;&#200;  =           > C0 C8 88 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023D9088C8C0, 40 bytes long.
 Data: <&#192;4&#137; =   &#176; P&#146;=   > C0 34 89 90 3D 02 00 00 B0 80 50 92 3D 02 00 00 
{263} normal block at 0x0000023D90893650, 16 bytes long.
 Data: <&#176;Q&#137; =           > B0 51 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023D908932E0, 16 bytes long.
 Data: < Q&#137; =           > 88 51 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023D9088D1F0, 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 0x0000023D90893420, 16 bytes long.
 Data: <`Q&#137; =           > 60 51 89 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023D90895160, 992 bytes long.
 Data: < 4&#137; =   &#240;&#209;  =   > 20 34 89 90 3D 02 00 00 F0 D1 88 90 3D 02 00 00 
{95} normal block at 0x0000023D9088D3D0, 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 0x0000023D908878A0, 16 bytes long.
 Data: <P&#200;  =           > 50 C8 88 90 3D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023D9088C850, 40 bytes long.
 Data: <&#160;x  =   &#208;&#211;  =   > A0 78 88 90 3D 02 00 00 D0 D3 88 90 3D 02 00 00 
{72} normal block at 0x0000023D90888070, 16 bytes long.
 Data: < &#234;M6&#246;           > 80 EA 4D 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023D90887F30, 16 bytes long.
 Data: <@&#233;M6&#246;           > 40 E9 4D 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023D90888520, 16 bytes long.
 Data: <&#248;WJ6&#246;           > F8 57 4A 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023D90888020, 16 bytes long.
 Data: <&#216;WJ6&#246;           > D8 57 4A 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023D90887E40, 16 bytes long.
 Data: <P J6&#246;           > 50 04 4A 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023D90887DF0, 16 bytes long.
 Data: <0 J6&#246;           > 30 04 4A 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023D90887D00, 16 bytes long.
 Data: <&#224; J6&#246;           > E0 02 4A 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023D90887800, 16 bytes long.
 Data: <  J6&#246;           > 10 04 4A 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023D90887D50, 16 bytes long.
 Data: <p J6&#246;           > 70 04 4A 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023D908880C0, 16 bytes long.
 Data: < &#192;H6&#246;           > 18 C0 48 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra