Task 38680166

Name test_763-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2731_0
Workunit 31621902
Created 26 Oct 2026, 23:01:08 UTC
Sent 26 Oct 2026, 23:01:09 UTC
Report deadline 31 Oct 2026, 23:01:09 UTC
Received 27 Oct 2026, 2:09:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 31 min 57 sec
CPU time 31 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.25 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:37:32 (29872): wrapper (7.9.26016): starting
19:37:32 (29872): 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
19:37:33 (29872): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:37:33 (29872): 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
20:08:47 (29872): C:/Windows/system32/cmd.exe exited; CPU time 1877.828125
20:08:47 (29872): 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: 26088921 bytes.
Dumping objects ->
{3835231} normal block at 0x00000272FB75C810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000272FB75D060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000272FB75C7A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x00000272F9A746D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000272F9A74740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x00000272FB7AA640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x00000272FB7BE470, 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) : {3835142} normal block at 0x00000272F9A6EE70, 8 bytes long.
 Data: <  &#159;&#249;r   > 00 00 9F F9 72 02 00 00 
{3834540} normal block at 0x00000272FB7BEB50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000272F9A6EA10, 8 bytes long.
 Data: < &#174;&#169;&#249;r   > 80 AE A9 F9 72 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000272F9A706C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000272F9A5F5A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000272F9A75330, 16 bytes long.
 Data: < c&#167;&#249;r           > 98 63 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000272F9A752E0, 16 bytes long.
 Data: <pc&#167;&#249;r           > 70 63 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000272F9A6F990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000272F9A75E20, 16 bytes long.
 Data: <Hc&#167;&#249;r           > 48 63 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000272F9A75880, 16 bytes long.
 Data: < c&#167;&#249;r           > 20 63 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000272F9A75B50, 16 bytes long.
 Data: <&#248;b&#167;&#249;r           > F8 62 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000272F9A75290, 16 bytes long.
 Data: <&#208;b&#167;&#249;r           > D0 62 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000272F9A74820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000272F9A75150, 16 bytes long.
 Data: <&#184;&#181;&#165;&#249;r           > B8 B5 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000272F9A6FD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000272F9A751F0, 16 bytes long.
 Data: < &#181;&#165;&#249;r           > 90 B5 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000272F9A75A60, 16 bytes long.
 Data: <h&#181;&#165;&#249;r           > 68 B5 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000272F9A75B00, 16 bytes long.
 Data: <@&#181;&#165;&#249;r           > 40 B5 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000272F9A754C0, 16 bytes long.
 Data: < &#181;&#165;&#249;r           > 18 B5 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000272F9A76000, 16 bytes long.
 Data: <&#240;&#180;&#165;&#249;r           > F0 B4 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000272F9A75D30, 16 bytes long.
 Data: <&#200;&#180;&#165;&#249;r           > C8 B4 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000272F9A6FC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000272F9A75100, 16 bytes long.
 Data: <&#160;&#180;&#165;&#249;r           > A0 B4 A5 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000272F9A5B4A0, 320 bytes long.
 Data: < Q&#167;&#249;r    &#252;&#166;&#249;r   > 00 51 A7 F9 72 02 00 00 90 FC A6 F9 72 02 00 00 
{275} normal block at 0x00000272F9A75FB0, 16 bytes long.
 Data: <&#176;b&#167;&#249;r           > B0 62 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000272F9A75560, 16 bytes long.
 Data: < b&#167;&#249;r           > 88 62 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000272F9A6F870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000272F9A75EC0, 16 bytes long.
 Data: <`b&#167;&#249;r           > 60 62 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000272F9A6F9F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000272F9A75510, 16 bytes long.
 Data: <&#168;a&#167;&#249;r           > A8 61 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000272F9A75CE0, 16 bytes long.
 Data: < a&#167;&#249;r           > 80 61 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000272F9A75F60, 16 bytes long.
 Data: <Xa&#167;&#249;r           > 58 61 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000272F9A75E70, 16 bytes long.
 Data: <0a&#167;&#249;r           > 30 61 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000272F9A75600, 16 bytes long.
 Data: < a&#167;&#249;r           > 08 61 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000272F9A75740, 16 bytes long.
 Data: <&#224;`&#167;&#249;r           > E0 60 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000272F9A751A0, 16 bytes long.
 Data: < E&#167;&#249;r           > 80 45 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000272F9A74580, 40 bytes long.
 Data: <&#160;Q&#167;&#249;r   @&#166;z&#251;r   > A0 51 A7 F9 72 02 00 00 40 A6 7A FB 72 02 00 00 
{261} normal block at 0x00000272F9A75240, 16 bytes long.
 Data: <&#192;`&#167;&#249;r           > C0 60 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000272F9A75C90, 16 bytes long.
 Data: < `&#167;&#249;r           > 98 60 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000272F9A6FCF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000272F9A75F10, 16 bytes long.
 Data: <p`&#167;&#249;r           > 70 60 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000272F9A76070, 992 bytes long.
 Data: < _&#167;&#249;r   &#240;&#252;&#166;&#249;r   > 10 5F A7 F9 72 02 00 00 F0 FC A6 F9 72 02 00 00 
{93} normal block at 0x00000272F9A6FE10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000272F9A6F460, 16 bytes long.
 Data: <&#176;G&#167;&#249;r           > B0 47 A7 F9 72 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000272F9A747B0, 40 bytes long.
 Data: <`&#244;&#166;&#249;r    &#254;&#166;&#249;r   > 60 F4 A6 F9 72 02 00 00 10 FE A6 F9 72 02 00 00 
{70} normal block at 0x00000272F9A6E6F0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000272F9A6E560, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000272F9A6E6A0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000272F9A6E600, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000272F9A6E650, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000272F9A6EBF0, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000272F9A6E790, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000272F9A6F320, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000272F9A6F2D0, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000272F9A6EC90, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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