Task 38686913

Name test_213-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4161_0
Workunit 31628322
Created 28 Oct 2026, 5:03:23 UTC
Sent 28 Oct 2026, 5:03:25 UTC
Report deadline 2 Nov 2026, 5:03:25 UTC
Received 28 Oct 2026, 7:37:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 56 min 17 sec
CPU time 48 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.19 MB
Peak swap size 8.42 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:43:22 (30348): wrapper (7.9.26016): starting
23:43:22 (30348): 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
23:43:25 (30348): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:43:25 (30348): 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
00:37:04 (30348): C:/Windows/system32/cmd.exe exited; CPU time 2895.968750
00:37:04 (30348): 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: 61224733 bytes.
Dumping objects ->
{3835458} normal block at 0x0000016E0860E150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000016E0860E2A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x0000016E0860D6D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x0000016E06935830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x0000016E06935670, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x0000016E0865B300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000016E0866FC80, 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) : {3835369} normal block at 0x0000016E0692E5B0, 8 bytes long.
 Data: <  &#235; n   > 00 00 EB 06 6E 01 00 00 
{3834654} normal block at 0x0000016E0866FD30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000016E0692E4C0, 8 bytes long.
 Data: <&#208;K&#147; n   > D0 4B 93 06 6E 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000016E06931C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016E06926CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000016E06936290, 16 bytes long.
 Data: <xt&#147; n           > 78 74 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016E06936BA0, 16 bytes long.
 Data: <Pt&#147; n           > 50 74 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016E0692FD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000016E06936240, 16 bytes long.
 Data: <(t&#147; n           > 28 74 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016E06936150, 16 bytes long.
 Data: < t&#147; n           > 00 74 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016E06936A10, 16 bytes long.
 Data: <&#216;s&#147; n           > D8 73 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016E069361F0, 16 bytes long.
 Data: <&#176;s&#147; n           > B0 73 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016E069358A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000016E06936560, 16 bytes long.
 Data: <&#200;&#248;&#145; n           > C8 F8 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016E069302F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000016E06936920, 16 bytes long.
 Data: <&#160;&#248;&#145; n           > A0 F8 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016E06936790, 16 bytes long.
 Data: <x&#248;&#145; n           > 78 F8 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016E06936880, 16 bytes long.
 Data: <P&#248;&#145; n           > 50 F8 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016E06936650, 16 bytes long.
 Data: <(&#248;&#145; n           > 28 F8 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016E06936B00, 16 bytes long.
 Data: < &#248;&#145; n           > 00 F8 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016E06935FC0, 16 bytes long.
 Data: <&#216;&#247;&#145; n           > D8 F7 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016E06930050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000016E06936740, 16 bytes long.
 Data: <&#176;&#247;&#145; n           > B0 F7 91 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016E0691F7B0, 320 bytes long.
 Data: <@g&#147; n   P &#147; n   > 40 67 93 06 6E 01 00 00 50 00 93 06 6E 01 00 00 
{278} normal block at 0x0000016E06936A60, 16 bytes long.
 Data: < s&#147; n           > 90 73 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016E06936B50, 16 bytes long.
 Data: <hs&#147; n           > 68 73 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016E0692FE70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000016E069364C0, 16 bytes long.
 Data: <@s&#147; n           > 40 73 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016E06930830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000016E06936380, 16 bytes long.
 Data: < r&#147; n           > 88 72 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016E06936510, 16 bytes long.
 Data: <`r&#147; n           > 60 72 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016E069369C0, 16 bytes long.
 Data: <8r&#147; n           > 38 72 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016E06936AB0, 16 bytes long.
 Data: < r&#147; n           > 10 72 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016E06936420, 16 bytes long.
 Data: <&#232;q&#147; n           > E8 71 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016E06936BF0, 16 bytes long.
 Data: <&#192;q&#147; n           > C0 71 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016E06936330, 16 bytes long.
 Data: <&#224;V&#147; n           > E0 56 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016E069356E0, 40 bytes long.
 Data: <0c&#147; n    &#179;e n   > 30 63 93 06 6E 01 00 00 00 B3 65 08 6E 01 00 00 
{264} normal block at 0x0000016E06936100, 16 bytes long.
 Data: <&#160;q&#147; n           > A0 71 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016E06936010, 16 bytes long.
 Data: <xq&#147; n           > 78 71 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016E06930230, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000016E069360B0, 16 bytes long.
 Data: <Pq&#147; n           > 50 71 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016E06937150, 992 bytes long.
 Data: <&#176;`&#147; n   0 &#147; n   > B0 60 93 06 6E 01 00 00 30 02 93 06 6E 01 00 00 
{96} normal block at 0x0000016E0692FF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000016E0692E9C0, 16 bytes long.
 Data: <&#208;S&#147; n           > D0 53 93 06 6E 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000016E069353D0, 40 bytes long.
 Data: <&#192;&#233;&#146; n   0&#255;&#146; n   > C0 E9 92 06 6E 01 00 00 30 FF 92 06 6E 01 00 00 
{73} normal block at 0x0000016E0692E470, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016E0692DC50, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016E0692E790, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016E0692E600, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016E0692E7E0, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016E0692DF20, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016E0692DB60, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016E0692E010, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016E0692DE80, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016E0692E6F0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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