Task 38689108

Name test_126-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6041_0
Workunit 31630384
Created 28 Oct 2026, 18:25:03 UTC
Sent 28 Oct 2026, 18:25:05 UTC
Report deadline 2 Nov 2026, 18:25:05 UTC
Received 28 Oct 2026, 18:44:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 18 min 38 sec
CPU time 17 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.44 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:26:04 (28952): wrapper (7.9.26016): starting
19:26:04 (28952): 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
19:26:05 (28952): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:26:05 (28952): 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: Exiting with failure status due to previous errors
19:44:00 (28952): C:/Windows/system32/cmd.exe exited; CPU time 1068.890625
19:44:00 (28952): 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: 18622569 bytes.
Dumping objects ->
{3835251} normal block at 0x000001E0239EAC00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001E0239EB920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001E0239EAD50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001E0239C57D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001E0239C56F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001E02577B590, 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) : {3835163} normal block at 0x000001E0239BE700, 8 bytes long.
 Data: <  &#150;#&#224;   > 00 00 96 23 E0 01 00 00 
{3833969} normal block at 0x000001E0239BE390, 8 bytes long.
 Data: < T}%&#224;   > 10 54 7D 25 E0 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E0239C2A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E0239B6BC0, 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 0x000001E0239C7130, 16 bytes long.
 Data: < w&#156;#&#224;           > 98 77 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E0239C6730, 16 bytes long.
 Data: <pw&#156;#&#224;           > 70 77 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E0239C05A0, 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 0x000001E0239C7400, 16 bytes long.
 Data: <Hw&#156;#&#224;           > 48 77 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E0239C70E0, 16 bytes long.
 Data: < w&#156;#&#224;           > 20 77 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E0239C6690, 16 bytes long.
 Data: <&#248;v&#156;#&#224;           > F8 76 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E0239C7090, 16 bytes long.
 Data: <&#208;v&#156;#&#224;           > D0 76 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E0239C5B50, 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 0x000001E0239C6C80, 16 bytes long.
 Data: <&#216;&#253;&#155;#&#224;           > D8 FD 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E0239C0720, 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 0x000001E0239C6FF0, 16 bytes long.
 Data: <&#176;&#253;&#155;#&#224;           > B0 FD 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E0239C71D0, 16 bytes long.
 Data: < &#253;&#155;#&#224;           > 88 FD 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E0239C6E60, 16 bytes long.
 Data: <`&#253;&#155;#&#224;           > 60 FD 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E0239C73B0, 16 bytes long.
 Data: <8&#253;&#155;#&#224;           > 38 FD 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E0239C6E10, 16 bytes long.
 Data: < &#253;&#155;#&#224;           > 10 FD 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E0239C6B40, 16 bytes long.
 Data: <&#232;&#252;&#155;#&#224;           > E8 FC 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E0239C00C0, 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 0x000001E0239C6550, 16 bytes long.
 Data: <&#192;&#252;&#155;#&#224;           > C0 FC 9B 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E0239BFCC0, 320 bytes long.
 Data: <Pe&#156;#&#224;   &#192; &#156;#&#224;   > 50 65 9C 23 E0 01 00 00 C0 00 9C 23 E0 01 00 00 
{280} normal block at 0x000001E0239C66E0, 16 bytes long.
 Data: <&#176;v&#156;#&#224;           > B0 76 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E0239C6EB0, 16 bytes long.
 Data: < v&#156;#&#224;           > 88 76 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E0239C0480, 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 0x000001E0239C64B0, 16 bytes long.
 Data: <`v&#156;#&#224;           > 60 76 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E0239C0600, 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 0x000001E0239C6DC0, 16 bytes long.
 Data: <&#168;u&#156;#&#224;           > A8 75 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E0239C6FA0, 16 bytes long.
 Data: < u&#156;#&#224;           > 80 75 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E0239C6870, 16 bytes long.
 Data: <Xu&#156;#&#224;           > 58 75 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E0239C6D70, 16 bytes long.
 Data: <0u&#156;#&#224;           > 30 75 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E0239C7040, 16 bytes long.
 Data: < u&#156;#&#224;           > 08 75 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E0239C67D0, 16 bytes long.
 Data: <&#224;t&#156;#&#224;           > E0 74 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E0239C6640, 16 bytes long.
 Data: < ]&#156;#&#224;           > 10 5D 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E0239C5D10, 40 bytes long.
 Data: <@f&#156;#&#224;    &#181;w%&#224;   > 40 66 9C 23 E0 01 00 00 90 B5 77 25 E0 01 00 00 
{266} normal block at 0x000001E0239C6820, 16 bytes long.
 Data: <&#192;t&#156;#&#224;           > C0 74 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E0239C65A0, 16 bytes long.
 Data: < t&#156;#&#224;           > 98 74 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E0239C0A20, 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 0x000001E0239C6F00, 16 bytes long.
 Data: <pt&#156;#&#224;           > 70 74 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E0239C7470, 992 bytes long.
 Data: < o&#156;#&#224;     &#156;#&#224;   > 00 6F 9C 23 E0 01 00 00 20 0A 9C 23 E0 01 00 00 
{98} normal block at 0x000001E0239C09C0, 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 0x000001E0239BDD00, 16 bytes long.
 Data: < ]&#156;#&#224;           > 80 5D 9C 23 E0 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001E0239C5D80, 40 bytes long.
 Data: < &#221;&#155;#&#224;   &#192;	&#156;#&#224;   > 00 DD 9B 23 E0 01 00 00 C0 09 9C 23 E0 01 00 00 
{75} normal block at 0x000001E0239BE7F0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E0239BE570, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E0239BE7A0, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E0239BEA70, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E0239BE2A0, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E0239BDDA0, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E0239BE4D0, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E0239BE480, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E0239BE3E0, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E0239BDC60, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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