Task 38680540

Name test_671-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4866_0
Workunit 31622256
Created 27 Oct 2026, 0:20:19 UTC
Sent 27 Oct 2026, 0:20:28 UTC
Report deadline 1 Nov 2026, 0:20:28 UTC
Received 27 Oct 2026, 1:34:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 20 min 25 sec
CPU time 19 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.96 MB
Peak swap size 10.04 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:53:59 (13140): wrapper (7.9.26016): starting
09:53:59 (13140): 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
09:54:00 (13140): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:54:00 (13140): 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.
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
10:13:38 (13140): C:/Windows/system32/cmd.exe exited; CPU time 1146.859375
10:13:38 (13140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 22562055 bytes.
Dumping objects ->
{3835586} normal block at 0x00000209EDB0C960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x00000209EDB0C7A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x00000209EBB04D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x00000209EBB04D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x00000209EBB04C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x00000209EDB568B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x00000209EDB6C450, 100 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) : {3835497} normal block at 0x00000209EBAFFBF0, 8 bytes long.
 Data: <  &#167; 	   > 00 00 A7 EB 09 02 00 00 
{3834771} normal block at 0x00000209EDB6D850, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x00000209EBAFFF10, 8 bytes long.
 Data: < 5&#187; 	   > 00 35 BB ED 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000209EBAFD9A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000209EBAF63B0, 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 0x00000209EBB06080, 16 bytes long.
 Data: <8Z&#176; 	           > 38 5A B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000209EBB06AD0, 16 bytes long.
 Data: < Z&#176; 	           > 10 5A B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000209EBAFFAE0, 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 0x00000209EBB05DB0, 16 bytes long.
 Data: < Y&#176; 	           > E8 59 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000209EBB067B0, 16 bytes long.
 Data: <&#192;Y&#176; 	           > C0 59 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000209EBB06A80, 16 bytes long.
 Data: < Y&#176; 	           > 98 59 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000209EBB05D60, 16 bytes long.
 Data: <pY&#176; 	           > 70 59 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000209EBB05170, 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 0x00000209EBB06170, 16 bytes long.
 Data: <  &#174; 	           > 08 EB AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000209EBAFF1E0, 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 0x00000209EBB06030, 16 bytes long.
 Data: <  &#174; 	           > E0 EA AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000209EBB069E0, 16 bytes long.
 Data: <&#184; &#174; 	           > B8 EA AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000209EBB06260, 16 bytes long.
 Data: <  &#174; 	           > 90 EA AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000209EBB05FE0, 16 bytes long.
 Data: <h &#174; 	           > 68 EA AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000209EBB05E50, 16 bytes long.
 Data: <@ &#174; 	           > 40 EA AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000209EBB06A30, 16 bytes long.
 Data: <  &#174; 	           > 18 EA AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000209EBAFF4E0, 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 0x00000209EBB05F40, 16 bytes long.
 Data: <  &#174; 	           > F0 E9 AE EB 09 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000209EBAEE9F0, 320 bytes long.
 Data: <@_&#176; 	     &#175; 	   > 40 5F B0 EB 09 02 00 00 E0 F4 AF EB 09 02 00 00 
{277} normal block at 0x00000209EBB06210, 16 bytes long.
 Data: <PY&#176; 	           > 50 59 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000209EBB05C20, 16 bytes long.
 Data: <(Y&#176; 	           > 28 59 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000209EBAFF6C0, 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 0x00000209EBB061C0, 16 bytes long.
 Data: < Y&#176; 	           > 00 59 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000209EBAFF8A0, 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 0x00000209EBB06990, 16 bytes long.
 Data: <HX&#176; 	           > 48 58 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000209EBB06850, 16 bytes long.
 Data: < X&#176; 	           > 20 58 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000209EBB06760, 16 bytes long.
 Data: < W&#176; 	           > F8 57 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000209EBB05F90, 16 bytes long.
 Data: <&#208;W&#176; 	           > D0 57 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000209EBB06710, 16 bytes long.
 Data: <&#168;W&#176; 	           > A8 57 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000209EBAFFC90, 16 bytes long.
 Data: < W&#176; 	           > 80 57 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000209EBB00A50, 16 bytes long.
 Data: < P&#176; 	           > 20 50 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000209EBB05020, 40 bytes long.
 Data: <P &#176; 	   &#176;h&#181; 	   > 50 0A B0 EB 09 02 00 00 B0 68 B5 ED 09 02 00 00 
{263} normal block at 0x00000209EBB00A00, 16 bytes long.
 Data: <`W&#176; 	           > 60 57 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000209EBB009B0, 16 bytes long.
 Data: <8W&#176; 	           > 38 57 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000209EBAFF060, 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 0x00000209EBB00280, 16 bytes long.
 Data: < W&#176; 	           > 10 57 B0 EB 09 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000209EBB05710, 992 bytes long.
 Data: <  &#176; 	   ` &#175; 	   > 80 02 B0 EB 09 02 00 00 60 F0 AF EB 09 02 00 00 
{95} normal block at 0x00000209EBAFF900, 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 0x00000209EBB005F0, 16 bytes long.
 Data: <  &#175; 	           > 00 9F AF EB 09 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000209EBAF9F00, 40 bytes long.
 Data: <  &#176; 	     &#175; 	   > F0 05 B0 EB 09 02 00 00 00 F9 AF EB 09 02 00 00 
{70} normal block at 0x00000209EBAFFEC0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000209EBB00000, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000209EBB00550, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000209EBB00500, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000209EBB001E0, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000209EBB00190, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000209EBB006E0, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000209EBAFFE70, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000209EBB00AA0, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000209EBB004B0, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra