Task 38669640

Name test_273-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3008_1
Workunit 31611941
Created 25 Oct 2026, 15:10:29 UTC
Sent 25 Oct 2026, 15:10:39 UTC
Report deadline 30 Oct 2026, 15:10:39 UTC
Received 25 Oct 2026, 16:18:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 24 min 7 sec
CPU time 20 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.10 MB
Peak swap size 8.62 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:55:37 (26276): wrapper (7.9.26016): starting
16:55:37 (26276): 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
16:55:38 (26276): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:55:38 (26276): 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
17:18:21 (26276): C:/Windows/system32/cmd.exe exited; CPU time 1200.640625
17:18:21 (26276): 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: 29785443 bytes.
Dumping objects ->
{3835219} normal block at 0x000001EEEADCF270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001EEEADD0070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001EEEADCFCF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001EEEADCFC80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001EEE9105350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001EEEAE1E150, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001EEEAE30DA0, 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) : {3835130} normal block at 0x000001EEE90FDB50, 8 bytes long.
 Data: <   &#233;&#238;   > 00 00 0B E9 EE 01 00 00 
{3834536} normal block at 0x000001EEEAE317F0, 102 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 0x000001EEE90FD3D0, 8 bytes long.
 Data: <&#224;&#215; &#233;&#238;   > E0 D7 1D E9 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EEE9101400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EEE90F5D70, 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 0x000001EEE9105960, 16 bytes long.
 Data: <&#168;k &#233;&#238;           > A8 6B 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EEE9105910, 16 bytes long.
 Data: < k &#233;&#238;           > 80 6B 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EEE90FF380, 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 0x000001EEE91061D0, 16 bytes long.
 Data: <Xk &#233;&#238;           > 58 6B 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EEE9106680, 16 bytes long.
 Data: <0k &#233;&#238;           > 30 6B 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EEE91064F0, 16 bytes long.
 Data: < k &#233;&#238;           > 08 6B 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EEE91058C0, 16 bytes long.
 Data: <&#224;j &#233;&#238;           > E0 6A 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EEE91055F0, 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 0x000001EEE9106630, 16 bytes long.
 Data: <(&#137; &#233;&#238;           > 28 89 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EEE90FF500, 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 0x000001EEE91064A0, 16 bytes long.
 Data: < &#137; &#233;&#238;           > 00 89 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EEE9105F50, 16 bytes long.
 Data: <&#216;  &#233;&#238;           > D8 88 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EEE9105EB0, 16 bytes long.
 Data: <&#176;  &#233;&#238;           > B0 88 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EEE9106450, 16 bytes long.
 Data: <   &#233;&#238;           > 88 88 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EEE9105FF0, 16 bytes long.
 Data: <`  &#233;&#238;           > 60 88 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EEE9105D70, 16 bytes long.
 Data: <8  &#233;&#238;           > 38 88 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EEE90FF7A0, 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 0x000001EEE91067C0, 16 bytes long.
 Data: <   &#233;&#238;           > 10 88 0F E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EEE90F8810, 320 bytes long.
 Data: <&#192;g &#233;&#238;   &#160;&#247; &#233;&#238;   > C0 67 10 E9 EE 01 00 00 A0 F7 0F E9 EE 01 00 00 
{276} normal block at 0x000001EEE9106810, 16 bytes long.
 Data: <&#192;j &#233;&#238;           > C0 6A 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EEE9105C80, 16 bytes long.
 Data: < j &#233;&#238;           > 98 6A 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EEE90FF920, 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 0x000001EEE9106590, 16 bytes long.
 Data: <pj &#233;&#238;           > 70 6A 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EEE90FFBC0, 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 0x000001EEE9106770, 16 bytes long.
 Data: <&#184;i &#233;&#238;           > B8 69 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EEE91063B0, 16 bytes long.
 Data: < i &#233;&#238;           > 90 69 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EEE91065E0, 16 bytes long.
 Data: <hi &#233;&#238;           > 68 69 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EEE9105E60, 16 bytes long.
 Data: <@i &#233;&#238;           > 40 69 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EEE9106400, 16 bytes long.
 Data: < i &#233;&#238;           > 18 69 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EEE9105D20, 16 bytes long.
 Data: <&#240;h &#233;&#238;           > F0 68 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EEE9105DC0, 16 bytes long.
 Data: < U &#233;&#238;           > 10 55 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EEE9105510, 40 bytes long.
 Data: <&#192;] &#233;&#238;   P&#225;&#225;&#234;&#238;   > C0 5D 10 E9 EE 01 00 00 50 E1 E1 EA EE 01 00 00 
{262} normal block at 0x000001EEE9105A50, 16 bytes long.
 Data: <&#208;h &#233;&#238;           > D0 68 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EEE9105AA0, 16 bytes long.
 Data: <&#168;h &#233;&#238;           > A8 68 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EEE90FFDA0, 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 0x000001EEE9105C30, 16 bytes long.
 Data: < h &#233;&#238;           > 80 68 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EEE9106880, 992 bytes long.
 Data: <0\ &#233;&#238;   &#160;&#253; &#233;&#238;   > 30 5C 10 E9 EE 01 00 00 A0 FD 0F E9 EE 01 00 00 
{94} normal block at 0x000001EEE90FFAA0, 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 0x000001EEE90FDE20, 16 bytes long.
 Data: <@W &#233;&#238;           > 40 57 10 E9 EE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001EEE9105740, 40 bytes long.
 Data: < &#222; &#233;&#238;   &#160;&#250; &#233;&#238;   > 20 DE 0F E9 EE 01 00 00 A0 FA 0F E9 EE 01 00 00 
{71} normal block at 0x000001EEE90FE0A0, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EEE90FD9C0, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EEE90FDC40, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EEE90FD420, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EEE90FDBA0, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EEE90FDAB0, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EEE90FD290, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EEE90FDF60, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EEE90FDB00, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EEE90FD880, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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