Task 38686470

Name test_157-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9681_0
Workunit 31627902
Created 28 Oct 2026, 2:44:37 UTC
Sent 28 Oct 2026, 2:44:42 UTC
Report deadline 2 Nov 2026, 2:44:42 UTC
Received 28 Oct 2026, 4:08:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630739
Run time 41 min 4 sec
CPU time 37 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.59 MB
Peak swap size 11.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:28:42 (40700): wrapper (7.9.26016): starting
23:28:42 (40700): 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
23:28:45 (40700): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:28:45 (40700): 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\28\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\28\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
00:08:00 (40700): C:/Windows/system32/cmd.exe exited; CPU time 2267.921875
00:08:00 (40700): 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: 49214015 bytes.
Dumping objects ->
{3835284} normal block at 0x0000015BADCBDB90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x0000015BAC044BA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x0000015BAC044B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x0000015BAC044970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000015BAC0446D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x0000015BADD04600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000015BADD1EEC0, 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) : {3835195} normal block at 0x0000015BAC03FEB0, 8 bytes long.
 Data: <   &#172;[   > 00 00 00 AC 5B 01 00 00 
{3834571} normal block at 0x0000015BADD1E3C0, 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 0x0000015BAC03FA50, 8 bytes long.
 Data: < 9&#214;&#173;[   > 80 39 D6 AD 5B 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000015BAC036B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015BAC037670, 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 0x0000015BAC045AB0, 16 bytes long.
 Data: < g &#172;[           > 08 67 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015BAC0460A0, 16 bytes long.
 Data: <&#224;f &#172;[           > E0 66 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015BAC040AA0, 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 0x0000015BAC0456F0, 16 bytes long.
 Data: <&#184;f &#172;[           > B8 66 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015BAC0460F0, 16 bytes long.
 Data: < f &#172;[           > 90 66 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015BAC046050, 16 bytes long.
 Data: <hf &#172;[           > 68 66 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015BAC046000, 16 bytes long.
 Data: <@f &#172;[           > 40 66 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015BAC044820, 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 0x0000015BAC045FB0, 16 bytes long.
 Data: <&#248;&#159; &#172;[           > F8 9F 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015BAC041100, 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 0x0000015BAC045C40, 16 bytes long.
 Data: <&#208;&#159; &#172;[           > D0 9F 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015BAC045F10, 16 bytes long.
 Data: <&#168;&#159; &#172;[           > A8 9F 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015BAC045560, 16 bytes long.
 Data: < &#159; &#172;[           > 80 9F 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015BAC045970, 16 bytes long.
 Data: <X&#159; &#172;[           > 58 9F 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015BAC0462D0, 16 bytes long.
 Data: <0&#159; &#172;[           > 30 9F 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015BAC045EC0, 16 bytes long.
 Data: < &#159; &#172;[           > 08 9F 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015BAC040D40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000015BAC045E70, 16 bytes long.
 Data: <&#224;&#158; &#172;[           > E0 9E 03 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015BAC039EE0, 320 bytes long.
 Data: <p^ &#172;[   @  &#172;[   > 70 5E 04 AC 5B 01 00 00 40 0D 04 AC 5B 01 00 00 
{277} normal block at 0x0000015BAC0454C0, 16 bytes long.
 Data: < f &#172;[           > 20 66 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015BAC045600, 16 bytes long.
 Data: <&#248;e &#172;[           > F8 65 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015BAC0410A0, 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 0x0000015BAC045A60, 16 bytes long.
 Data: <&#208;e &#172;[           > D0 65 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015BAC040C80, 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 0x0000015BAC045F60, 16 bytes long.
 Data: < e &#172;[           > 18 65 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015BAC045650, 16 bytes long.
 Data: <&#240;d &#172;[           > F0 64 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015BAC0459C0, 16 bytes long.
 Data: <&#200;d &#172;[           > C8 64 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015BAC0456A0, 16 bytes long.
 Data: <&#160;d &#172;[           > A0 64 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015BAC045790, 16 bytes long.
 Data: <xd &#172;[           > 78 64 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015BAC045A10, 16 bytes long.
 Data: <Pd &#172;[           > 50 64 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015BAC045B00, 16 bytes long.
 Data: <@G &#172;[           > 40 47 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015BAC044740, 40 bytes long.
 Data: < [ &#172;[    F&#208;&#173;[   > 00 5B 04 AC 5B 01 00 00 00 46 D0 AD 5B 01 00 00 
{263} normal block at 0x0000015BAC045510, 16 bytes long.
 Data: <0d &#172;[           > 30 64 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015BAC045DD0, 16 bytes long.
 Data: < d &#172;[           > 08 64 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015BAC041040, 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 0x0000015BAC0461E0, 16 bytes long.
 Data: <&#224;c &#172;[           > E0 63 04 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015BAC0463E0, 992 bytes long.
 Data: <&#224;a &#172;[   @  &#172;[   > E0 61 04 AC 5B 01 00 00 40 10 04 AC 5B 01 00 00 
{95} normal block at 0x0000015BAC040FE0, 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 0x0000015BAC03FAA0, 16 bytes long.
 Data: <`&#201; &#172;[           > 60 C9 02 AC 5B 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000015BAC02C960, 40 bytes long.
 Data: <&#160;&#250; &#172;[   &#224;  &#172;[   > A0 FA 03 AC 5B 01 00 00 E0 0F 04 AC 5B 01 00 00 
{72} normal block at 0x0000015BAC0401D0, 16 bytes long.
 Data: < &#234;g[&#246;           > 80 EA 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000015BAC03FB90, 16 bytes long.
 Data: <@&#233;g[&#246;           > 40 E9 67 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000015BAC0400E0, 16 bytes long.
 Data: <&#248;Wd[&#246;           > F8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015BAC03F7D0, 16 bytes long.
 Data: <&#216;Wd[&#246;           > D8 57 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015BAC03F910, 16 bytes long.
 Data: <P d[&#246;           > 50 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015BAC03FF50, 16 bytes long.
 Data: <0 d[&#246;           > 30 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015BAC03FCD0, 16 bytes long.
 Data: <&#224; d[&#246;           > E0 02 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015BAC03FAF0, 16 bytes long.
 Data: <  d[&#246;           > 10 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015BAC040270, 16 bytes long.
 Data: <p d[&#246;           > 70 04 64 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015BAC03F960, 16 bytes long.
 Data: < &#192;b[&#246;           > 18 C0 62 5B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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