Task 38685142

Name test_944-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6254_0
Workunit 31626625
Created 27 Oct 2026, 19:38:37 UTC
Sent 27 Oct 2026, 19:38:40 UTC
Report deadline 1 Nov 2026, 19:38:40 UTC
Received 27 Oct 2026, 20:19:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 38 min 25 sec
CPU time 37 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.32 MB
Peak swap size 7.00 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:40:28 (17100): wrapper (7.9.26016): starting
20:40:28 (17100): 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
20:40:29 (17100): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:40:29 (17100): 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\4\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\4\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
21:18:03 (17100): C:/Windows/system32/cmd.exe exited; CPU time 2230.609375
21:18:03 (17100): 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: 38732059 bytes.
Dumping objects ->
{3835244} normal block at 0x0000021E1F317260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000021E1F317180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000021E1F3164D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x0000021E1F317110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000021E1F316E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x0000021E20F0C990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000021E20F6DA00, 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) : {3835155} normal block at 0x0000021E1F2E7110, 8 bytes long.
 Data: <  &#212;     > 00 00 D4 20 1E 02 00 00 
{3834549} normal block at 0x0000021E20F6DE20, 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 0x0000021E1F2E7930, 8 bytes long.
 Data: < [2     > 00 5B 32 1F 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021E1F2F1CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021E1F2D60C0, 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 0x0000021E1F2F39E0, 16 bytes long.
 Data: < C/             > 08 43 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021E1F2F3990, 16 bytes long.
 Data: <&#224;B/             > E0 42 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021E1F2EBFA0, 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 0x0000021E1F2F3530, 16 bytes long.
 Data: <&#184;B/             > B8 42 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021E1F2F38F0, 16 bytes long.
 Data: < B/             > 90 42 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021E1F2F2F90, 16 bytes long.
 Data: <hB/             > 68 42 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E1F2F38A0, 16 bytes long.
 Data: <@B/             > 40 42 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021E1F2EDA70, 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 0x0000021E1F2F2F40, 16 bytes long.
 Data: <H&#185;-             > 48 B9 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021E1F2EC8A0, 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 0x0000021E1F2F34E0, 16 bytes long.
 Data: < &#185;-             > 20 B9 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E1F2F2EF0, 16 bytes long.
 Data: <&#248;&#184;-             > F8 B8 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E1F2F2E50, 16 bytes long.
 Data: <&#208;&#184;-             > D0 B8 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E1F2F3580, 16 bytes long.
 Data: <&#168;&#184;-             > A8 B8 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E1F2F3850, 16 bytes long.
 Data: < &#184;-             > 80 B8 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E1F2F35D0, 16 bytes long.
 Data: <X&#184;-             > 58 B8 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E1F2EBB80, 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 0x0000021E1F2F2EA0, 16 bytes long.
 Data: <0&#184;-             > 30 B8 2D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E1F2DB830, 320 bytes long.
 Data: <&#160;./      &#187;.     > A0 2E 2F 1F 1E 02 00 00 80 BB 2E 1F 1E 02 00 00 
{278} normal block at 0x0000021E1F2F3210, 16 bytes long.
 Data: < B/             > 20 42 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E1F2F2DB0, 16 bytes long.
 Data: <&#248;A/             > F8 41 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E1F2EC060, 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 0x0000021E1F2F3B20, 16 bytes long.
 Data: <&#208;A/             > D0 41 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E1F2EBF40, 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 0x0000021E1F2F2D10, 16 bytes long.
 Data: < A/             > 18 41 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E1F2F2E00, 16 bytes long.
 Data: <&#240;@/             > F0 40 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E1F2F2CC0, 16 bytes long.
 Data: <&#200;@/             > C8 40 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E1F2F3260, 16 bytes long.
 Data: <&#160;@/             > A0 40 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E1F2F37B0, 16 bytes long.
 Data: <x@/             > 78 40 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021E1F2F3710, 16 bytes long.
 Data: <P@/             > 50 40 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E1F2F31C0, 16 bytes long.
 Data: <@&#223;.             > 40 DF 2E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E1F2EDF40, 40 bytes long.
 Data: <&#192;1/      &#201;&#240;     > C0 31 2F 1F 1E 02 00 00 90 C9 F0 20 1E 02 00 00 
{264} normal block at 0x0000021E1F2F3490, 16 bytes long.
 Data: <0@/             > 30 40 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E1F2F2C70, 16 bytes long.
 Data: < @/             > 08 40 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E1F2EC660, 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 0x0000021E1F2F32B0, 16 bytes long.
 Data: <&#224;?/             > E0 3F 2F 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021E1F2F3FE0, 992 bytes long.
 Data: <&#176;2/     `&#198;.     > B0 32 2F 1F 1E 02 00 00 60 C6 2E 1F 1E 02 00 00 
{96} normal block at 0x0000021E1F2EBC40, 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 0x0000021E1F2E79D0, 16 bytes long.
 Data: < &#221;.             > 10 DD 2E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000021E1F2EDD10, 40 bytes long.
 Data: <&#208;y.     @&#188;.     > D0 79 2E 1F 1E 02 00 00 40 BC 2E 1F 1E 02 00 00 
{73} normal block at 0x0000021E1F2E7B60, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021E1F2E76B0, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021E1F2E7480, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021E1F2E6C10, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021E1F2E6EE0, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021E1F2E7610, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E1F2E72A0, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E1F2E78E0, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E1F2E7390, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021E1F2E7430, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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