Task 38685267

Name test_237-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0196_0
Workunit 31626742
Created 27 Oct 2026, 20:14:44 UTC
Sent 27 Oct 2026, 20:14:52 UTC
Report deadline 1 Nov 2026, 20:14:52 UTC
Received 28 Oct 2026, 3:29:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 3 sec
CPU time 1 hours 43 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 641.21 MB
Peak swap size 6.72 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:44:02 (14356): wrapper (7.9.26016): starting
21:44:02 (14356): 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
21:44:05 (14356): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:44:05 (14356): 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
23:28:29 (14356): C:/Windows/system32/cmd.exe exited; CPU time 6231.390625
23:28:29 (14356): 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: 77604923 bytes.
Dumping objects ->
{3835209} normal block at 0x00000237F5CF8270, 48 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 0x00000237F5CF8200, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000237F5CF7860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x00000237F5CF83C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000237F5CF7BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x00000237F784D8F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x00000237F78AF6C0, 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) : {3835120} normal block at 0x00000237F5CC6DB0, 8 bytes long.
 Data: <  &#201;&#245;7   > 00 00 C9 F5 37 02 00 00 
{3834523} normal block at 0x00000237F78AEE80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000237F5CC7170, 8 bytes long.
 Data: <Px&#150;&#247;7   > 50 78 96 F7 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000237F5CD3290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000237F5CB5C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000237F5CD4C80, 16 bytes long.
 Data: < S&#205;&#245;7           > 88 53 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000237F5CD4460, 16 bytes long.
 Data: <`S&#205;&#245;7           > 60 53 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000237F5CCD8C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000237F5CD4230, 16 bytes long.
 Data: <8S&#205;&#245;7           > 38 53 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000237F5CD4140, 16 bytes long.
 Data: < S&#205;&#245;7           > 10 53 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000237F5CD4FF0, 16 bytes long.
 Data: <&#232;R&#205;&#245;7           > E8 52 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000237F5CD4FA0, 16 bytes long.
 Data: <&#192;R&#205;&#245;7           > C0 52 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000237F5CCBCF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000237F5CD4500, 16 bytes long.
 Data: < &#204;&#204;&#245;7           > 18 CC CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000237F5CCD560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000237F5CD4410, 16 bytes long.
 Data: <&#240;&#203;&#204;&#245;7           > F0 CB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000237F5CD4F50, 16 bytes long.
 Data: <&#200;&#203;&#204;&#245;7           > C8 CB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000237F5CD4F00, 16 bytes long.
 Data: <&#160;&#203;&#204;&#245;7           > A0 CB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000237F5CD4EB0, 16 bytes long.
 Data: <x&#203;&#204;&#245;7           > 78 CB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000237F5CD4550, 16 bytes long.
 Data: <P&#203;&#204;&#245;7           > 50 CB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000237F5CD4D70, 16 bytes long.
 Data: <(&#203;&#204;&#245;7           > 28 CB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000237F5CCD020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000237F5CD4190, 16 bytes long.
 Data: < &#203;&#204;&#245;7           > 00 CB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000237F5CCCB00, 320 bytes long.
 Data: < A&#205;&#245;7    &#208;&#204;&#245;7   > 90 41 CD F5 37 02 00 00 20 D0 CC F5 37 02 00 00 
{268} normal block at 0x00000237F5CD40F0, 16 bytes long.
 Data: <&#160;R&#205;&#245;7           > A0 52 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000237F5CD4AF0, 16 bytes long.
 Data: <xR&#205;&#245;7           > 78 52 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000237F5CCD9E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000237F5CD4E60, 16 bytes long.
 Data: <PR&#205;&#245;7           > 50 52 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000237F5CCD140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000237F5CD48C0, 16 bytes long.
 Data: < Q&#205;&#245;7           > 98 51 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000237F5CD4960, 16 bytes long.
 Data: <pQ&#205;&#245;7           > 70 51 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000237F5CD4370, 16 bytes long.
 Data: <HQ&#205;&#245;7           > 48 51 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000237F5CD42D0, 16 bytes long.
 Data: < Q&#205;&#245;7           > 20 51 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000237F5CD41E0, 16 bytes long.
 Data: <&#248;P&#205;&#245;7           > F8 50 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000237F5CD4E10, 16 bytes long.
 Data: <&#208;P&#205;&#245;7           > D0 50 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000237F5CD47D0, 16 bytes long.
 Data: <0&#187;&#204;&#245;7           > 30 BB CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000237F5CCBB30, 40 bytes long.
 Data: <&#208;G&#205;&#245;7   &#240;&#216;&#132;&#247;7   > D0 47 CD F5 37 02 00 00 F0 D8 84 F7 37 02 00 00 
{254} normal block at 0x00000237F5CD4280, 16 bytes long.
 Data: <&#176;P&#205;&#245;7           > B0 50 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000237F5CD45F0, 16 bytes long.
 Data: < P&#205;&#245;7           > 88 50 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000237F5CCCE40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000237F5CD4820, 16 bytes long.
 Data: <`P&#205;&#245;7           > 60 50 CD F5 37 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000237F5CD5060, 992 bytes long.
 Data: < H&#205;&#245;7   @&#206;&#204;&#245;7   > 20 48 CD F5 37 02 00 00 40 CE CC F5 37 02 00 00 
{86} normal block at 0x00000237F5CCD6E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000237F5CC7710, 16 bytes long.
 Data: <p&#192;&#204;&#245;7           > 70 C0 CC F5 37 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000237F5CCC070, 40 bytes long.
 Data: < w&#204;&#245;7   &#224;&#214;&#204;&#245;7   > 10 77 CC F5 37 02 00 00 E0 D6 CC F5 37 02 00 00 
{63} normal block at 0x00000237F5CC6D10, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000237F5CC7530, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000237F5CC6D60, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000237F5CC6CC0, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000237F5CC7760, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000237F5CC7990, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000237F5CC7850, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000237F5CC6C20, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000237F5CC6EA0, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000237F5CC6F40, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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