Task 38683358

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND4691_0
Workunit 31624921
Created 27 Oct 2026, 11:30:29 UTC
Sent 27 Oct 2026, 11:30:34 UTC
Report deadline 1 Nov 2026, 11:30:34 UTC
Received 27 Oct 2026, 12:15:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 43 min 52 sec
CPU time 39 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.07 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:32:07 (49092): wrapper (7.9.26016): starting
05:32:07 (49092): 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
05:32:08 (49092): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:32:08 (49092): 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\9\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\9\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
06:15:17 (49092): C:/Windows/system32/cmd.exe exited; CPU time 2378.109375
06:15:17 (49092): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 55982267 bytes.
Dumping objects ->
{3835232} normal block at 0x000001E41319CEB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001E4115F4DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000001E4115F4900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x000001E4115F4D60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x000001E4115F4C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x000001E4131E9020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000001E41165A8D0, 140 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) : {3835143} normal block at 0x000001E4115EEC40, 8 bytes long.
 Data: <  \ &#228;   > 00 00 5C 11 E4 01 00 00 
{3834543} normal block at 0x000001E41165A590, 140 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 0x000001E4115EEAB0, 8 bytes long.
 Data: <`J' &#228;   > 60 4A 27 13 E4 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E4115F0C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E4115E66F0, 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 0x000001E4115F5B50, 16 bytes long.
 Data: <&#248;g_ &#228;           > F8 67 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E4115F55B0, 16 bytes long.
 Data: <&#208;g_ &#228;           > D0 67 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E4115F02D0, 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 0x000001E4115F5FB0, 16 bytes long.
 Data: <&#168;g_ &#228;           > A8 67 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E4115F5B00, 16 bytes long.
 Data: < g_ &#228;           > 80 67 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E4115F5510, 16 bytes long.
 Data: <Xg_ &#228;           > 58 67 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E4115F5E20, 16 bytes long.
 Data: <0g_ &#228;           > 30 67 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E4115F49E0, 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 0x000001E4115F5920, 16 bytes long.
 Data: <&#200;&#231;^ &#228;           > C8 E7 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E4115F0150, 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 0x000001E4115F6410, 16 bytes long.
 Data: <&#160;&#231;^ &#228;           > A0 E7 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E4115F6190, 16 bytes long.
 Data: <x&#231;^ &#228;           > 78 E7 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E4115F63C0, 16 bytes long.
 Data: <P&#231;^ &#228;           > 50 E7 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E4115F5D30, 16 bytes long.
 Data: <(&#231;^ &#228;           > 28 E7 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E4115F6140, 16 bytes long.
 Data: < &#231;^ &#228;           > 00 E7 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E4115F5F10, 16 bytes long.
 Data: <&#216;&#230;^ &#228;           > D8 E6 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E4115F0810, 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 0x000001E4115F5790, 16 bytes long.
 Data: <&#176;&#230;^ &#228;           > B0 E6 5E 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E4115EE6B0, 320 bytes long.
 Data: < W_ &#228;     _ &#228;   > 90 57 5F 11 E4 01 00 00 10 08 5F 11 E4 01 00 00 
{276} normal block at 0x000001E4115F5DD0, 16 bytes long.
 Data: < g_ &#228;           > 10 67 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E4115F58D0, 16 bytes long.
 Data: <&#232;f_ &#228;           > E8 66 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E4115F0450, 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 0x000001E4115F6320, 16 bytes long.
 Data: <&#192;f_ &#228;           > C0 66 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E4115F0390, 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 0x000001E4115F5E70, 16 bytes long.
 Data: < f_ &#228;           > 08 66 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E4115F59C0, 16 bytes long.
 Data: <&#224;e_ &#228;           > E0 65 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E4115F5970, 16 bytes long.
 Data: <&#184;e_ &#228;           > B8 65 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E4115F6370, 16 bytes long.
 Data: < e_ &#228;           > 90 65 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E4115F5D80, 16 bytes long.
 Data: <he_ &#228;           > 68 65 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E4115F6460, 16 bytes long.
 Data: <@e_ &#228;           > 40 65 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E4115F5AB0, 16 bytes long.
 Data: < O_ &#228;           > 90 4F 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E4115F4F90, 40 bytes long.
 Data: <&#176;Z_ &#228;       &#228;   > B0 5A 5F 11 E4 01 00 00 20 90 1E 13 E4 01 00 00 
{262} normal block at 0x000001E4115F5A60, 16 bytes long.
 Data: < e_ &#228;           > 20 65 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E4115F5A10, 16 bytes long.
 Data: <&#248;d_ &#228;           > F8 64 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E4115F04B0, 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 0x000001E4115F60F0, 16 bytes long.
 Data: <&#208;d_ &#228;           > D0 64 5F 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E4115F64D0, 992 bytes long.
 Data: <&#240;`_ &#228;   &#176; _ &#228;   > F0 60 5F 11 E4 01 00 00 B0 04 5F 11 E4 01 00 00 
{94} normal block at 0x000001E4115EFEB0, 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 0x000001E4115EF1E0, 16 bytes long.
 Data: <&#192;&#230;] &#228;           > C0 E6 5D 11 E4 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E4115DE6C0, 40 bytes long.
 Data: <&#224;&#241;^ &#228;   &#176;&#254;^ &#228;   > E0 F1 5E 11 E4 01 00 00 B0 FE 5E 11 E4 01 00 00 
{71} normal block at 0x000001E4115EF730, 16 bytes long.
 Data: < &#234;&#190;)&#247;           > 80 EA BE 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E4115EF190, 16 bytes long.
 Data: <@&#233;&#190;)&#247;           > 40 E9 BE 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E4115EEE20, 16 bytes long.
 Data: <&#248;W&#187;)&#247;           > F8 57 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E4115EEBA0, 16 bytes long.
 Data: <&#216;W&#187;)&#247;           > D8 57 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E4115EF2D0, 16 bytes long.
 Data: <P &#187;)&#247;           > 50 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E4115EF370, 16 bytes long.
 Data: <0 &#187;)&#247;           > 30 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E4115EE9C0, 16 bytes long.
 Data: <&#224; &#187;)&#247;           > E0 02 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E4115EF050, 16 bytes long.
 Data: <  &#187;)&#247;           > 10 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E4115EF000, 16 bytes long.
 Data: <p &#187;)&#247;           > 70 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E4115EEA10, 16 bytes long.
 Data: < &#192;&#185;)&#247;           > 18 C0 B9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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