Task 38688508

Name test_625-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2581_0
Workunit 31629853
Created 28 Oct 2026, 14:24:36 UTC
Sent 28 Oct 2026, 14:24:40 UTC
Report deadline 2 Nov 2026, 14:24:40 UTC
Received 28 Oct 2026, 14:44:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 18 min 14 sec
CPU time 16 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.58 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:25:34 (10328): wrapper (7.9.26016): starting
15:25:34 (10328): 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
15:25:35 (10328): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:25:35 (10328): 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\9\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\9\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
15:43:08 (10328): C:/Windows/system32/cmd.exe exited; CPU time 979.078125
15:43:08 (10328): 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: 18617223 bytes.
Dumping objects ->
{3835223} normal block at 0x0000024ECCE342D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000024ECCE34260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000024ECCE34340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000024ECCE343B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000024ECCE34110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000024ECEC3B680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000024ECCE57F00, 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) : {3835134} normal block at 0x0000024ECCE2D4D0, 8 bytes long.
 Data: <  7&#205;N   > 00 00 37 CD 4E 02 00 00 
{3834541} normal block at 0x0000024ECCE58950, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000024ECCE2CAD0, 8 bytes long.
 Data: <&#224; &#209;&#206;N   > E0 1F D1 CE 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024ECCE2F090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024ECCE266A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000024ECCE32F30, 16 bytes long.
 Data: < >&#227;&#204;N           > 08 3E E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024ECCE332A0, 16 bytes long.
 Data: <&#224;=&#227;&#204;N           > E0 3D E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024ECCE2DDA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000024ECCE33890, 16 bytes long.
 Data: <&#184;=&#227;&#204;N           > B8 3D E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024ECCE33840, 16 bytes long.
 Data: < =&#227;&#204;N           > 90 3D E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024ECCE32EE0, 16 bytes long.
 Data: <h=&#227;&#204;N           > 68 3D E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024ECCE33A20, 16 bytes long.
 Data: <@=&#227;&#204;N           > 40 3D E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024ECCE33F50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000024ECCE337F0, 16 bytes long.
 Data: <X&#200;&#226;&#204;N           > 58 C8 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024ECCE2E700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000024ECCE32C10, 16 bytes long.
 Data: <0&#200;&#226;&#204;N           > 30 C8 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024ECCE32DA0, 16 bytes long.
 Data: < &#200;&#226;&#204;N           > 08 C8 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024ECCE32BC0, 16 bytes long.
 Data: <&#224;&#199;&#226;&#204;N           > E0 C7 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024ECCE32B70, 16 bytes long.
 Data: <&#184;&#199;&#226;&#204;N           > B8 C7 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024ECCE338E0, 16 bytes long.
 Data: < &#199;&#226;&#204;N           > 90 C7 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024ECCE337A0, 16 bytes long.
 Data: <h&#199;&#226;&#204;N           > 68 C7 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024ECCE2E3A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000024ECCE33750, 16 bytes long.
 Data: <@&#199;&#226;&#204;N           > 40 C7 E2 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024ECCE2C740, 320 bytes long.
 Data: <P7&#227;&#204;N   &#160;&#227;&#226;&#204;N   > 50 37 E3 CC 4E 02 00 00 A0 E3 E2 CC 4E 02 00 00 
{275} normal block at 0x0000024ECCE33660, 16 bytes long.
 Data: < =&#227;&#204;N           > 20 3D E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024ECCE334D0, 16 bytes long.
 Data: <&#248;<&#227;&#204;N           > F8 3C E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024ECCE2E940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000024ECCE33200, 16 bytes long.
 Data: <&#208;<&#227;&#204;N           > D0 3C E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024ECCE2E640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000024ECCE33480, 16 bytes long.
 Data: < <&#227;&#204;N           > 18 3C E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024ECCE332F0, 16 bytes long.
 Data: <&#240;;&#227;&#204;N           > F0 3B E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024ECCE33700, 16 bytes long.
 Data: <&#200;;&#227;&#204;N           > C8 3B E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024ECCE33610, 16 bytes long.
 Data: <&#160;;&#227;&#204;N           > A0 3B E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024ECCE33430, 16 bytes long.
 Data: <x;&#227;&#204;N           > 78 3B E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024ECCE32DF0, 16 bytes long.
 Data: <P;&#227;&#204;N           > 50 3B E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024ECCE335C0, 16 bytes long.
 Data: <p&#223;&#225;&#204;N           > 70 DF E1 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024ECCE1DF70, 40 bytes long.
 Data: <&#192;5&#227;&#204;N    &#182;&#195;&#206;N   > C0 35 E3 CC 4E 02 00 00 80 B6 C3 CE 4E 02 00 00 
{261} normal block at 0x0000024ECCE333E0, 16 bytes long.
 Data: <0;&#227;&#204;N           > 30 3B E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024ECCE33390, 16 bytes long.
 Data: < ;&#227;&#204;N           > 08 3B E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024ECCE2E400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000024ECCE33570, 16 bytes long.
 Data: <&#224;:&#227;&#204;N           > E0 3A E3 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024ECCE33AE0, 992 bytes long.
 Data: <p5&#227;&#204;N    &#228;&#226;&#204;N   > 70 35 E3 CC 4E 02 00 00 00 E4 E2 CC 4E 02 00 00 
{93} normal block at 0x0000024ECCE2E2E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000024ECCE2D020, 16 bytes long.
 Data: < &#206;&#225;&#204;N           > 90 CE E1 CC 4E 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024ECCE1CE90, 40 bytes long.
 Data: < &#208;&#226;&#204;N   &#224;&#226;&#226;&#204;N   > 20 D0 E2 CC 4E 02 00 00 E0 E2 E2 CC 4E 02 00 00 
{70} normal block at 0x0000024ECCE2CFD0, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024ECCE2D930, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024ECCE2CE40, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024ECCE2D480, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024ECCE2D6B0, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024ECCE2CD00, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024ECCE2D430, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024ECCE2D160, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024ECCE2CF30, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024ECCE2D8E0, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra