Task 38685982

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0684_0
Workunit 31627432
Created 28 Oct 2026, 0:00:07 UTC
Sent 28 Oct 2026, 0:00:09 UTC
Report deadline 2 Nov 2026, 0:00:09 UTC
Received 28 Oct 2026, 2:12:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654379
Run time 36 min 36 sec
CPU time 34 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.28 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:35:43 (5624): wrapper (7.9.26016): starting
18:35:43 (5624): 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
18:35:44 (5624): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:35:44 (5624): 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\18\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\18\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
19:11:47 (5624): C:/Windows/system32/cmd.exe exited; CPU time 2095.843750
19:11:47 (5624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 60226791 bytes.
Dumping objects ->
{3835262} normal block at 0x000002C3D87B5CE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000002C3D87B60D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002C3D87B59D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000002C3D87B5EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002C3D87B6060, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000002C3D87BE2E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x000002C3D6A3D9A0, 8 bytes long.
 Data: <  	&#215;&#195;   > 00 00 09 D7 C3 02 00 00 
{3833969} normal block at 0x000002C3D6A3E170, 8 bytes long.
 Data: <&#176;&#229;q&#216;&#195;   > B0 E5 71 D8 C3 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002C3D6A41880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002C3D6A36CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002C3D6A467E0, 16 bytes long.
 Data: <8o&#164;&#214;&#195;           > 38 6F A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002C3D6A46470, 16 bytes long.
 Data: < o&#164;&#214;&#195;           > 10 6F A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002C3D6A401B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002C3D6A46420, 16 bytes long.
 Data: <&#232;n&#164;&#214;&#195;           > E8 6E A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C3D6A463D0, 16 bytes long.
 Data: <&#192;n&#164;&#214;&#195;           > C0 6E A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C3D6A46970, 16 bytes long.
 Data: < n&#164;&#214;&#195;           > 98 6E A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C3D6A468D0, 16 bytes long.
 Data: <pn&#164;&#214;&#195;           > 70 6E A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C3D6A44620, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002C3D6A46BA0, 16 bytes long.
 Data: <&#200;&#241;&#163;&#214;&#195;           > C8 F1 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C3D6A3FA30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002C3D6A46B50, 16 bytes long.
 Data: <&#160;&#241;&#163;&#214;&#195;           > A0 F1 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C3D6A46330, 16 bytes long.
 Data: <x&#241;&#163;&#214;&#195;           > 78 F1 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C3D6A46AB0, 16 bytes long.
 Data: <P&#241;&#163;&#214;&#195;           > 50 F1 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C3D6A45CA0, 16 bytes long.
 Data: <(&#241;&#163;&#214;&#195;           > 28 F1 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C3D6A461F0, 16 bytes long.
 Data: < &#241;&#163;&#214;&#195;           > 00 F1 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C3D6A45E30, 16 bytes long.
 Data: <&#216;&#240;&#163;&#214;&#195;           > D8 F0 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C3D6A3FE50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002C3D6A466F0, 16 bytes long.
 Data: <&#176;&#240;&#163;&#214;&#195;           > B0 F0 A3 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C3D6A3F0B0, 320 bytes long.
 Data: <&#240;f&#164;&#214;&#195;   P&#254;&#163;&#214;&#195;   > F0 66 A4 D6 C3 02 00 00 50 FE A3 D6 C3 02 00 00 
{280} normal block at 0x000002C3D6A45F70, 16 bytes long.
 Data: <Pn&#164;&#214;&#195;           > 50 6E A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C3D6A46380, 16 bytes long.
 Data: <(n&#164;&#214;&#195;           > 28 6E A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C3D6A3FD90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002C3D6A45F20, 16 bytes long.
 Data: < n&#164;&#214;&#195;           > 00 6E A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C3D6A40450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002C3D6A45ED0, 16 bytes long.
 Data: <Hm&#164;&#214;&#195;           > 48 6D A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C3D6A46740, 16 bytes long.
 Data: < m&#164;&#214;&#195;           > 20 6D A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C3D6A46790, 16 bytes long.
 Data: <&#248;l&#164;&#214;&#195;           > F8 6C A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C3D6A45DE0, 16 bytes long.
 Data: <&#208;l&#164;&#214;&#195;           > D0 6C A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C3D6A45D90, 16 bytes long.
 Data: <&#168;l&#164;&#214;&#195;           > A8 6C A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C3D6A46920, 16 bytes long.
 Data: < l&#164;&#214;&#195;           > 80 6C A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C3D6A46A60, 16 bytes long.
 Data: <&#192;A&#164;&#214;&#195;           > C0 41 A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C3D6A441C0, 40 bytes long.
 Data: <`j&#164;&#214;&#195;   &#224;&#226;{&#216;&#195;   > 60 6A A4 D6 C3 02 00 00 E0 E2 7B D8 C3 02 00 00 
{266} normal block at 0x000002C3D6A462E0, 16 bytes long.
 Data: <`l&#164;&#214;&#195;           > 60 6C A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C3D6A45D40, 16 bytes long.
 Data: <8l&#164;&#214;&#195;           > 38 6C A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C3D6A3F9D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002C3D6A46240, 16 bytes long.
 Data: < l&#164;&#214;&#195;           > 10 6C A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C3D6A46C10, 992 bytes long.
 Data: <@b&#164;&#214;&#195;   &#208;&#249;&#163;&#214;&#195;   > 40 62 A4 D6 C3 02 00 00 D0 F9 A3 D6 C3 02 00 00 
{98} normal block at 0x000002C3D6A402D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002C3D6A3D810, 16 bytes long.
 Data: <&#224;@&#164;&#214;&#195;           > E0 40 A4 D6 C3 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002C3D6A440E0, 40 bytes long.
 Data: < &#216;&#163;&#214;&#195;   &#208; &#164;&#214;&#195;   > 10 D8 A3 D6 C3 02 00 00 D0 02 A4 D6 C3 02 00 00 
{75} normal block at 0x000002C3D6A3DD60, 16 bytes long.
 Data: < &#234; ^&#247;           > 80 EA 81 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002C3D6A3E260, 16 bytes long.
 Data: <@&#233; ^&#247;           > 40 E9 81 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002C3D6A3D680, 16 bytes long.
 Data: <&#248;W~^&#247;           > F8 57 7E 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002C3D6A3D5E0, 16 bytes long.
 Data: <&#216;W~^&#247;           > D8 57 7E 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002C3D6A3D7C0, 16 bytes long.
 Data: <P ~^&#247;           > 50 04 7E 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C3D6A3DB80, 16 bytes long.
 Data: <0 ~^&#247;           > 30 04 7E 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C3D6A3E210, 16 bytes long.
 Data: <&#224; ~^&#247;           > E0 02 7E 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C3D6A3D9F0, 16 bytes long.
 Data: <  ~^&#247;           > 10 04 7E 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C3D6A3DC20, 16 bytes long.
 Data: <p ~^&#247;           > 70 04 7E 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C3D6A3E490, 16 bytes long.
 Data: < &#192;|^&#247;           > 18 C0 7C 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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