Task 38685428

Name test_150-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3898_0
Workunit 31626894
Created 27 Oct 2026, 20:59:57 UTC
Sent 27 Oct 2026, 21:00:18 UTC
Report deadline 1 Nov 2026, 21:00:18 UTC
Received 27 Oct 2026, 21:24:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 23 min 39 sec
CPU time 20 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.98 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:01:34 (1424): wrapper (7.9.26016): starting
14:01:34 (1424): 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
14:01:36 (1424): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:01:36 (1424): 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\2\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\2\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
14:24:06 (1424): C:/Windows/system32/cmd.exe exited; CPU time 1228.015625
14:24:06 (1424): 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: 18743237 bytes.
Dumping objects ->
{3835318} normal block at 0x000001FC56C769D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x000001FC56C768F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x000001FC56C76C70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x000001FC56C76D50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x000001FC56C76810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x000001FC58A68B10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001FC58A80940, 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) : {3835229} normal block at 0x000001FC56C70B60, 8 bytes long.
 Data: <  1W&#252;   > 00 00 31 57 FC 01 00 00 
{3834578} normal block at 0x000001FC58A80CB0, 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 0x000001FC56C71470, 8 bytes long.
 Data: <&#240;&#205;&#201;V&#252;   > F0 CD C9 56 FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FC56C72950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FC56C680C0, 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 0x000001FC56C774D0, 16 bytes long.
 Data: < &#131;&#199;V&#252;           > 08 83 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FC56C77B60, 16 bytes long.
 Data: <&#224;&#130;&#199;V&#252;           > E0 82 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FC56C71B00, 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 0x000001FC56C77CF0, 16 bytes long.
 Data: <&#184;&#130;&#199;V&#252;           > B8 82 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FC56C77B10, 16 bytes long.
 Data: < &#130;&#199;V&#252;           > 90 82 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FC56C77A20, 16 bytes long.
 Data: <h&#130;&#199;V&#252;           > 68 82 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FC56C77980, 16 bytes long.
 Data: <@&#130;&#199;V&#252;           > 40 82 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FC56C76C00, 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 0x000001FC56C77480, 16 bytes long.
 Data: <X &#198;V&#252;           > 58 11 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FC56C71AA0, 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 0x000001FC56C77390, 16 bytes long.
 Data: <0 &#198;V&#252;           > 30 11 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FC56C77AC0, 16 bytes long.
 Data: <  &#198;V&#252;           > 08 11 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FC56C77840, 16 bytes long.
 Data: <&#224; &#198;V&#252;           > E0 10 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FC56C77430, 16 bytes long.
 Data: <&#184; &#198;V&#252;           > B8 10 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FC56C773E0, 16 bytes long.
 Data: <  &#198;V&#252;           > 90 10 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FC56C77570, 16 bytes long.
 Data: <h &#198;V&#252;           > 68 10 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FC56C71860, 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 0x000001FC56C77A70, 16 bytes long.
 Data: <@ &#198;V&#252;           > 40 10 C6 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FC56C61040, 320 bytes long.
 Data: <pz&#199;V&#252;   ` &#199;V&#252;   > 70 7A C7 56 FC 01 00 00 60 18 C7 56 FC 01 00 00 
{276} normal block at 0x000001FC56C77C00, 16 bytes long.
 Data: < &#130;&#199;V&#252;           > 20 82 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FC56C777F0, 16 bytes long.
 Data: <&#248; &#199;V&#252;           > F8 81 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FC56C72040, 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 0x000001FC56C77930, 16 bytes long.
 Data: <&#208; &#199;V&#252;           > D0 81 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FC56C71800, 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 0x000001FC56C77200, 16 bytes long.
 Data: <  &#199;V&#252;           > 18 81 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FC56C77340, 16 bytes long.
 Data: <&#240; &#199;V&#252;           > F0 80 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FC56C77BB0, 16 bytes long.
 Data: <&#200; &#199;V&#252;           > C8 80 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FC56C77750, 16 bytes long.
 Data: <&#160; &#199;V&#252;           > A0 80 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FC56C771B0, 16 bytes long.
 Data: <x &#199;V&#252;           > 78 80 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FC56C77890, 16 bytes long.
 Data: <P &#199;V&#252;           > 50 80 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FC56C778E0, 16 bytes long.
 Data: < k&#199;V&#252;           > 90 6B C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FC56C76B90, 40 bytes long.
 Data: <&#224;x&#199;V&#252;    &#139;&#166;X&#252;   > E0 78 C7 56 FC 01 00 00 10 8B A6 58 FC 01 00 00 
{262} normal block at 0x000001FC56C77610, 16 bytes long.
 Data: <0 &#199;V&#252;           > 30 80 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FC56C776B0, 16 bytes long.
 Data: <  &#199;V&#252;           > 08 80 C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FC56C72700, 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 0x000001FC56C77660, 16 bytes long.
 Data: <&#224; &#199;V&#252;           > E0 7F C7 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FC56C77FE0, 992 bytes long.
 Data: <`v&#199;V&#252;    '&#199;V&#252;   > 60 76 C7 56 FC 01 00 00 00 27 C7 56 FC 01 00 00 
{94} normal block at 0x000001FC56C71FE0, 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 0x000001FC56C71290, 16 bytes long.
 Data: < &#195;&#197;V&#252;           > 00 C3 C5 56 FC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001FC56C5C300, 40 bytes long.
 Data: <  &#199;V&#252;   &#224; &#199;V&#252;   > 90 12 C7 56 FC 01 00 00 E0 1F C7 56 FC 01 00 00 
{71} normal block at 0x000001FC56C70F70, 16 bytes long.
 Data: < &#234;&#235;&#207;&#247;           > 80 EA EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FC56C70CA0, 16 bytes long.
 Data: <@&#233;&#235;&#207;&#247;           > 40 E9 EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FC56C70930, 16 bytes long.
 Data: <&#248;W&#232;&#207;&#247;           > F8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FC56C70C50, 16 bytes long.
 Data: <&#216;W&#232;&#207;&#247;           > D8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FC56C707F0, 16 bytes long.
 Data: <P &#232;&#207;&#247;           > 50 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FC56C71240, 16 bytes long.
 Data: <0 &#232;&#207;&#247;           > 30 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FC56C71010, 16 bytes long.
 Data: <&#224; &#232;&#207;&#247;           > E0 02 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FC56C70BB0, 16 bytes long.
 Data: <  &#232;&#207;&#247;           > 10 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FC56C708E0, 16 bytes long.
 Data: <p &#232;&#207;&#247;           > 70 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FC56C71510, 16 bytes long.
 Data: < &#192;&#230;&#207;&#247;           > 18 C0 E6 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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