Task 38696979

Name test_647-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9540_1
Workunit 31623909
Created 1 Nov 2026, 7:14:19 UTC
Sent 1 Nov 2026, 7:14:20 UTC
Report deadline 6 Nov 2026, 7:14:20 UTC
Received 1 Nov 2026, 7:52:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654969
Run time 33 min 44 sec
CPU time 31 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.00 MB
Peak swap size 6.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:19:26 (3144): wrapper (7.9.26016): starting
00:19:26 (3144): 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
00:19:27 (3144): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:19:27 (3144): 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
00:51:58 (3144): C:/Windows/system32/cmd.exe exited; CPU time 1909.906250
00:51:58 (3144): 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: 34591895 bytes.
Dumping objects ->
{3835204} normal block at 0x00000164D468CCE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x00000164D468CF80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x00000164D468D060, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x00000164D468D1B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x00000164D468C810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x00000164D63C5690, 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) : {3835116} normal block at 0x00000164D465E790, 8 bytes long.
 Data: <  &#190;&#212;d   > 00 00 BE D4 64 01 00 00 
{3833973} normal block at 0x00000164D465EE20, 8 bytes long.
 Data: <&#176;&#227;d&#212;d   > B0 E3 64 D4 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000164D4662050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000164D46575B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x00000164D4666920, 16 bytes long.
 Data: <h{f&#212;d           > 68 7B 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000164D4667000, 16 bytes long.
 Data: <@{f&#212;d           > 40 7B 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000164D4661040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x00000164D4666A10, 16 bytes long.
 Data: < {f&#212;d           > 18 7B 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000164D4666E70, 16 bytes long.
 Data: <&#240;zf&#212;d           > F0 7A 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000164D46669C0, 16 bytes long.
 Data: <&#200;zf&#212;d           > C8 7A 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000164D4666BF0, 16 bytes long.
 Data: <&#160;zf&#212;d           > A0 7A 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000164D46651E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x00000164D4667500, 16 bytes long.
 Data: < &#255;d&#212;d           > 08 FF 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000164D4660A40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x00000164D4666D30, 16 bytes long.
 Data: <&#224;&#254;d&#212;d           > E0 FE 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000164D4666B50, 16 bytes long.
 Data: <&#184;&#254;d&#212;d           > B8 FE 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000164D4666BA0, 16 bytes long.
 Data: < &#254;d&#212;d           > 90 FE 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000164D4666970, 16 bytes long.
 Data: <h&#254;d&#212;d           > 68 FE 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000164D4666B00, 16 bytes long.
 Data: <@&#254;d&#212;d           > 40 FE 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000164D4667320, 16 bytes long.
 Data: < &#254;d&#212;d           > 18 FE 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000164D4661160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x00000164D4667460, 16 bytes long.
 Data: <&#240;&#253;d&#212;d           > F0 FD 64 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000164D464FDF0, 320 bytes long.
 Data: <`tf&#212;d   ` f&#212;d   > 60 74 66 D4 64 01 00 00 60 11 66 D4 64 01 00 00 
{282} normal block at 0x00000164D4666FB0, 16 bytes long.
 Data: < zf&#212;d           > 80 7A 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000164D46674B0, 16 bytes long.
 Data: <Xzf&#212;d           > 58 7A 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000164D4660DA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x00000164D46670A0, 16 bytes long.
 Data: <0zf&#212;d           > 30 7A 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000164D4660B00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x00000164D46668D0, 16 bytes long.
 Data: <xyf&#212;d           > 78 79 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000164D4667230, 16 bytes long.
 Data: <Pyf&#212;d           > 50 79 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000164D4666880, 16 bytes long.
 Data: <(yf&#212;d           > 28 79 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000164D4666F10, 16 bytes long.
 Data: < yf&#212;d           > 00 79 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000164D46677D0, 16 bytes long.
 Data: <&#216;xf&#212;d           > D8 78 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000164D4666AB0, 16 bytes long.
 Data: <&#176;xf&#212;d           > B0 78 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000164D4666A60, 16 bytes long.
 Data: < Pf&#212;d           > 20 50 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000164D4665020, 40 bytes long.
 Data: <`jf&#212;d    V<&#214;d   > 60 6A 66 D4 64 01 00 00 90 56 3C D6 64 01 00 00 
{268} normal block at 0x00000164D4667780, 16 bytes long.
 Data: < xf&#212;d           > 90 78 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000164D46672D0, 16 bytes long.
 Data: <hxf&#212;d           > 68 78 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000164D46612E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x00000164D4667640, 16 bytes long.
 Data: <@xf&#212;d           > 40 78 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000164D4667840, 992 bytes long.
 Data: <@vf&#212;d   &#224; f&#212;d   > 40 76 66 D4 64 01 00 00 E0 12 66 D4 64 01 00 00 
{100} normal block at 0x00000164D4660BC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x00000164D465ED80, 16 bytes long.
 Data: <PRf&#212;d           > 50 52 66 D4 64 01 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x00000164D4665250, 40 bytes long.
 Data: < &#237;e&#212;d   &#192; f&#212;d   > 80 ED 65 D4 64 01 00 00 C0 0B 66 D4 64 01 00 00 
{77} normal block at 0x00000164D465E240, 16 bytes long.
 Data: < &#234;[&#251;&#246;           > 80 EA 5B FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000164D465E420, 16 bytes long.
 Data: <@&#233;[&#251;&#246;           > 40 E9 5B FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000164D465EA60, 16 bytes long.
 Data: <&#248;WX&#251;&#246;           > F8 57 58 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000164D465E1F0, 16 bytes long.
 Data: <&#216;WX&#251;&#246;           > D8 57 58 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000164D465EC40, 16 bytes long.
 Data: <P X&#251;&#246;           > 50 04 58 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000164D465EB50, 16 bytes long.
 Data: <0 X&#251;&#246;           > 30 04 58 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000164D465EFB0, 16 bytes long.
 Data: <&#224; X&#251;&#246;           > E0 02 58 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000164D465F0F0, 16 bytes long.
 Data: <  X&#251;&#246;           > 10 04 58 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000164D465F0A0, 16 bytes long.
 Data: <p X&#251;&#246;           > 70 04 58 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000164D465E470, 16 bytes long.
 Data: < &#192;V&#251;&#246;           > 18 C0 56 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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