Task 38671278

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3331_0
Workunit 31613488
Created 25 Oct 2026, 20:02:50 UTC
Sent 25 Oct 2026, 20:02:59 UTC
Report deadline 30 Oct 2026, 20:02:59 UTC
Received 26 Oct 2026, 2:01:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 55 min 35 sec
CPU time 51 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.86 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:09:52 (60904): wrapper (7.9.26016): starting
18:09:52 (60904): 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
18:09:53 (60904): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:09:53 (60904): 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\6\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\6\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
19:05:54 (60904): C:/Windows/system32/cmd.exe exited; CPU time 3114.640625
19:05:54 (60904): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 72842839 bytes.
Dumping objects ->
{3835232} normal block at 0x000001992415CAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x00000199225D4F90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x00000199225D4B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x00000199225D4AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x00000199225D4F20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x00000199241A8920, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x0000019922639D70, 140 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) : {3835143} normal block at 0x00000199225CED80, 8 bytes long.
 Data: <  &#150;"    > 00 00 96 22 99 01 00 00 
{3834543} normal block at 0x000001992263A3F0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000199225CED30, 8 bytes long.
 Data: <`J#$    > 60 4A 23 24 99 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000199225D13E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000199225C6150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000199225D6320, 16 bytes long.
 Data: <&#248;g]"            > F8 67 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000199225D5650, 16 bytes long.
 Data: <&#208;g]"            > D0 67 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000199225CFAF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000199225D6140, 16 bytes long.
 Data: <&#168;g]"            > A8 67 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000199225D62D0, 16 bytes long.
 Data: < g]"            > 80 67 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000199225D5BA0, 16 bytes long.
 Data: <Xg]"            > 58 67 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000199225D6410, 16 bytes long.
 Data: <0g]"            > 30 67 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000199225D4C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000199225D6050, 16 bytes long.
 Data: <&#200;&#231;\"            > C8 E7 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000199225CFDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000199225D5D80, 16 bytes long.
 Data: <&#160;&#231;\"            > A0 E7 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000199225D6190, 16 bytes long.
 Data: <x&#231;\"            > 78 E7 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000199225D5B50, 16 bytes long.
 Data: <P&#231;\"            > 50 E7 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000199225D5E20, 16 bytes long.
 Data: <(&#231;\"            > 28 E7 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000199225D5B00, 16 bytes long.
 Data: < &#231;\"            > 00 E7 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000199225D5D30, 16 bytes long.
 Data: <&#216;&#230;\"            > D8 E6 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000199225CFBB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000199225D59C0, 16 bytes long.
 Data: <&#176;&#230;\"            > B0 E6 5C 22 99 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000199225CE6B0, 320 bytes long.
 Data: <&#192;Y]"    &#176;&#251;\"    > C0 59 5D 22 99 01 00 00 B0 FB 5C 22 99 01 00 00 
{276} normal block at 0x00000199225D6280, 16 bytes long.
 Data: < g]"            > 10 67 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000199225D5EC0, 16 bytes long.
 Data: <&#232;f]"            > E8 66 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000199225D0570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000199225D5DD0, 16 bytes long.
 Data: <&#192;f]"            > C0 66 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000199225CFCD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000199225D5CE0, 16 bytes long.
 Data: < f]"            > 08 66 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000199225D57E0, 16 bytes long.
 Data: <&#224;e]"            > E0 65 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000199225D6230, 16 bytes long.
 Data: <&#184;e]"            > B8 65 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000199225D5C90, 16 bytes long.
 Data: < e]"            > 90 65 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000199225D5AB0, 16 bytes long.
 Data: <he]"            > 68 65 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000199225D5C40, 16 bytes long.
 Data: <@e]"            > 40 65 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000199225D5560, 16 bytes long.
 Data: <&#208;M]"            > D0 4D 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000199225D4DD0, 40 bytes long.
 Data: <`U]"     &#137; $    > 60 55 5D 22 99 01 00 00 20 89 1A 24 99 01 00 00 
{262} normal block at 0x00000199225D6000, 16 bytes long.
 Data: < e]"            > 20 65 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000199225D60F0, 16 bytes long.
 Data: <&#248;d]"            > F8 64 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000199225D0510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000199225D61E0, 16 bytes long.
 Data: <&#208;d]"            > D0 64 5D 22 99 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000199225D64D0, 992 bytes long.
 Data: <&#224;a]"      ]"    > E0 61 5D 22 99 01 00 00 10 05 5D 22 99 01 00 00 
{94} normal block at 0x00000199225CFA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000199225CEC40, 16 bytes long.
 Data: <&#192;&#230;["            > C0 E6 5B 22 99 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000199225BE6C0, 40 bytes long.
 Data: <@&#236;\"    0&#250;\"    > 40 EC 5C 22 99 01 00 00 30 FA 5C 22 99 01 00 00 
{71} normal block at 0x00000199225CF2D0, 16 bytes long.
 Data: < &#234;&#253;&#180;&#246;           > 80 EA FD B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000199225CF500, 16 bytes long.
 Data: <@&#233;&#253;&#180;&#246;           > 40 E9 FD B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000199225CEDD0, 16 bytes long.
 Data: <&#248;W&#250;&#180;&#246;           > F8 57 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000199225CECE0, 16 bytes long.
 Data: <&#216;W&#250;&#180;&#246;           > D8 57 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000199225CEBF0, 16 bytes long.
 Data: <P &#250;&#180;&#246;           > 50 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000199225CEF10, 16 bytes long.
 Data: <0 &#250;&#180;&#246;           > 30 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000199225CF370, 16 bytes long.
 Data: <&#224; &#250;&#180;&#246;           > E0 02 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000199225CEBA0, 16 bytes long.
 Data: <  &#250;&#180;&#246;           > 10 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000199225CF280, 16 bytes long.
 Data: <p &#250;&#180;&#246;           > 70 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000199225CF0A0, 16 bytes long.
 Data: < &#192;&#248;&#180;&#246;           > 18 C0 F8 B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra