Task 38679364

Name test_240-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6254_0
Workunit 31621140
Created 26 Oct 2026, 20:18:02 UTC
Sent 26 Oct 2026, 20:18:08 UTC
Report deadline 31 Oct 2026, 20:18:08 UTC
Received 27 Oct 2026, 4:20:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 557886
Run time 3 hours 10 min 49 sec
CPU time 2 hours 54 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 772.82 MB
Peak swap size 3.71 GB
Peak disk usage 3.45 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
02:11:52 (7860): wrapper (7.9.26016): starting
02:11:52 (7860): 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
02:11:55 (7860): Library/usr/bin/tar.exe exited; CPU time 0.031250
02:11:55 (7860): 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
05:19:24 (7860): C:/Windows/system32/cmd.exe exited; CPU time 10481.890625
05:19:24 (7860): 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: 131699763 bytes.
Dumping objects ->
{3835663} normal block at 0x000001E374A90840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835652} normal block at 0x000001E374A90B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835641} normal block at 0x000001E374A91250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835630} normal block at 0x000001E374A907D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835619} normal block at 0x000001E374A90A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835588} normal block at 0x000001E374C15600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835577} normal block at 0x000001E374C2EB30, 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) : {3835574} normal block at 0x000001E373099870, 8 bytes long.
 Data: <   s&#227;   > 00 00 07 73 E3 01 00 00 
{3834732} normal block at 0x000001E374C2F370, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001E373099730, 8 bytes long.
 Data: <P&#220;&#169;t&#227;   > 50 DC A9 74 E3 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001E3730A47C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E37308AF10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001E3730A5990, 16 bytes long.
 Data: <&#248;i s&#227;           > F8 69 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E3730A58A0, 16 bytes long.
 Data: <&#208;i s&#227;           > D0 69 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E37309F550, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001E3730A5940, 16 bytes long.
 Data: <&#168;i s&#227;           > A8 69 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E3730A57B0, 16 bytes long.
 Data: < i s&#227;           > 80 69 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E3730A6070, 16 bytes long.
 Data: <Xi s&#227;           > 58 69 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E3730A6660, 16 bytes long.
 Data: <0i s&#227;           > 30 69 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E37309DCE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001E3730A6520, 16 bytes long.
 Data: <&#200;&#220; s&#227;           > C8 DC 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E37309F850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001E3730A5DF0, 16 bytes long.
 Data: <&#160;&#220; s&#227;           > A0 DC 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E3730A5710, 16 bytes long.
 Data: <x&#220; s&#227;           > 78 DC 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E3730A5850, 16 bytes long.
 Data: <P&#220; s&#227;           > 50 DC 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E3730A64D0, 16 bytes long.
 Data: <(&#220; s&#227;           > 28 DC 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E3730A6250, 16 bytes long.
 Data: < &#220; s&#227;           > 00 DC 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E3730A5B70, 16 bytes long.
 Data: <&#216;&#219; s&#227;           > D8 DB 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E37309FF10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001E3730A6390, 16 bytes long.
 Data: <&#176;&#219; s&#227;           > B0 DB 08 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E37308DBB0, 320 bytes long.
 Data: < c s&#227;    &#255;	s&#227;   > 90 63 0A 73 E3 01 00 00 10 FF 09 73 E3 01 00 00 
{272} normal block at 0x000001E3730A6480, 16 bytes long.
 Data: < i s&#227;           > 10 69 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E3730A58F0, 16 bytes long.
 Data: <&#232;h s&#227;           > E8 68 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E37309F730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001E3730A6200, 16 bytes long.
 Data: <&#192;h s&#227;           > C0 68 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E37309F070, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001E3730A6340, 16 bytes long.
 Data: < h s&#227;           > 08 68 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E3730A5760, 16 bytes long.
 Data: <&#224;g s&#227;           > E0 67 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E3730A61B0, 16 bytes long.
 Data: <&#184;g s&#227;           > B8 67 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E3730A6160, 16 bytes long.
 Data: < g s&#227;           > 90 67 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E3730A5B20, 16 bytes long.
 Data: <hg s&#227;           > 68 67 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E3730A5E90, 16 bytes long.
 Data: <@g s&#227;           > 40 67 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E3730A6610, 16 bytes long.
 Data: < &#223;	s&#227;           > 80 DF 09 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E37309DF80, 40 bytes long.
 Data: < f s&#227;    V&#193;t&#227;   > 10 66 0A 73 E3 01 00 00 00 56 C1 74 E3 01 00 00 
{258} normal block at 0x000001E3730A5D50, 16 bytes long.
 Data: < g s&#227;           > 20 67 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E3730A6020, 16 bytes long.
 Data: <&#248;f s&#227;           > F8 66 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E37309F6D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001E3730A62F0, 16 bytes long.
 Data: <&#208;f s&#227;           > D0 66 0A 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E3730A66D0, 992 bytes long.
 Data: <&#240;b s&#227;   &#208;&#246;	s&#227;   > F0 62 0A 73 E3 01 00 00 D0 F6 09 73 E3 01 00 00 
{90} normal block at 0x000001E37309FCD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001E3730995F0, 16 bytes long.
 Data: <0&#222;	s&#227;           > 30 DE 09 73 E3 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001E37309DE30, 40 bytes long.
 Data: <&#240;&#149;	s&#227;   &#208;&#252;	s&#227;   > F0 95 09 73 E3 01 00 00 D0 FC 09 73 E3 01 00 00 
{67} normal block at 0x000001E3730995A0, 16 bytes long.
 Data: < &#234;@&#230;&#247;           > 80 EA 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E3730996E0, 16 bytes long.
 Data: <@&#233;@&#230;&#247;           > 40 E9 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E373099550, 16 bytes long.
 Data: <&#248;W=&#230;&#247;           > F8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E373099780, 16 bytes long.
 Data: <&#216;W=&#230;&#247;           > D8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E373099500, 16 bytes long.
 Data: <P =&#230;&#247;           > 50 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E373098F60, 16 bytes long.
 Data: <0 =&#230;&#247;           > 30 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E373099640, 16 bytes long.
 Data: <&#224; =&#230;&#247;           > E0 02 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E3730993C0, 16 bytes long.
 Data: <  =&#230;&#247;           > 10 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E3730992D0, 16 bytes long.
 Data: <p =&#230;&#247;           > 70 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E373098BF0, 16 bytes long.
 Data: < &#192;;&#230;&#247;           > 18 C0 3B E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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