Task 38681344

Name test_954-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1931_0
Workunit 31623013
Created 27 Oct 2026, 3:35:56 UTC
Sent 27 Oct 2026, 3:36:02 UTC
Report deadline 1 Nov 2026, 3:36:02 UTC
Received 27 Oct 2026, 4:06:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 29 min 17 sec
CPU time 27 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.21 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
04:36:48 (5776): wrapper (7.9.26016): starting
04:36:48 (5776): 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
04:36:49 (5776): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:36:49 (5776): 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\2\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\2\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
05:05:26 (5776): C:/Windows/system32/cmd.exe exited; CPU time 1659.578125
05:05:26 (5776): 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: 22635121 bytes.
Dumping objects ->
{3835235} normal block at 0x00000296FDC2CC30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000296FDC2C8B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x00000296FDC2C290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x00000296FDC2C7D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x00000296FBE24110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x00000296FDC73F30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x00000296FDC8DAB0, 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) : {3835146} normal block at 0x00000296FBE1FEF0, 8 bytes long.
 Data: <  J&#252;&#150;   > 00 00 4A FC 96 02 00 00 
{3834542} normal block at 0x00000296FDC8E450, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000296FBE1FA40, 8 bytes long.
 Data: <&#160;E&#205;&#253;&#150;   > A0 45 CD FD 96 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000296FBE10A40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000296FBE0F180, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000296FBE252B0, 16 bytes long.
 Data: <&#184;^&#226;&#251;&#150;           > B8 5E E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000296FBE25260, 16 bytes long.
 Data: < ^&#226;&#251;&#150;           > 90 5E E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000296FBE20F40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000296FBE25A30, 16 bytes long.
 Data: <h^&#226;&#251;&#150;           > 68 5E E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000296FBE24DB0, 16 bytes long.
 Data: <@^&#226;&#251;&#150;           > 40 5E E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000296FBE25210, 16 bytes long.
 Data: < ^&#226;&#251;&#150;           > 18 5E E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000296FBE24D60, 16 bytes long.
 Data: <&#240;]&#226;&#251;&#150;           > F0 5D E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000296FBE240A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000296FBE251C0, 16 bytes long.
 Data: <&#184;&#239;&#225;&#251;&#150;           > B8 EF E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000296FBE202E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000296FBE24BD0, 16 bytes long.
 Data: < &#239;&#225;&#251;&#150;           > 90 EF E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000296FBE24D10, 16 bytes long.
 Data: <h&#239;&#225;&#251;&#150;           > 68 EF E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000296FBE24CC0, 16 bytes long.
 Data: <@&#239;&#225;&#251;&#150;           > 40 EF E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000296FBE25530, 16 bytes long.
 Data: < &#239;&#225;&#251;&#150;           > 18 EF E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000296FBE25080, 16 bytes long.
 Data: <&#240;&#238;&#225;&#251;&#150;           > F0 EE E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000296FBE25170, 16 bytes long.
 Data: <&#200;&#238;&#225;&#251;&#150;           > C8 EE E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000296FBE20580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000296FBE24E50, 16 bytes long.
 Data: <&#160;&#238;&#225;&#251;&#150;           > A0 EE E1 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000296FBE1EEA0, 320 bytes long.
 Data: <PN&#226;&#251;&#150;     &#226;&#251;&#150;   > 50 4E E2 FB 96 02 00 00 80 05 E2 FB 96 02 00 00 
{276} normal block at 0x00000296FBE25B20, 16 bytes long.
 Data: <&#208;]&#226;&#251;&#150;           > D0 5D E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000296FBE254E0, 16 bytes long.
 Data: <&#168;]&#226;&#251;&#150;           > A8 5D E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000296FBE20280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000296FBE25120, 16 bytes long.
 Data: < ]&#226;&#251;&#150;           > 80 5D E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000296FBE206A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000296FBE257B0, 16 bytes long.
 Data: <&#200;\&#226;&#251;&#150;           > C8 5C E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000296FBE24C70, 16 bytes long.
 Data: <&#160;\&#226;&#251;&#150;           > A0 5C E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000296FBE25850, 16 bytes long.
 Data: <x\&#226;&#251;&#150;           > 78 5C E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000296FBE25620, 16 bytes long.
 Data: <P\&#226;&#251;&#150;           > 50 5C E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000296FBE25490, 16 bytes long.
 Data: <(\&#226;&#251;&#150;           > 28 5C E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000296FBE25350, 16 bytes long.
 Data: < \&#226;&#251;&#150;           > 00 5C E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000296FBE24E00, 16 bytes long.
 Data: <&#192;F&#226;&#251;&#150;           > C0 46 E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000296FBE246C0, 40 bytes long.
 Data: < N&#226;&#251;&#150;   0?&#199;&#253;&#150;   > 00 4E E2 FB 96 02 00 00 30 3F C7 FD 96 02 00 00 
{262} normal block at 0x00000296FBE25A80, 16 bytes long.
 Data: <&#224;[&#226;&#251;&#150;           > E0 5B E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000296FBE259E0, 16 bytes long.
 Data: <&#184;[&#226;&#251;&#150;           > B8 5B E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000296FBE20340, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000296FBE24C20, 16 bytes long.
 Data: < [&#226;&#251;&#150;           > 90 5B E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000296FBE25B90, 992 bytes long.
 Data: < L&#226;&#251;&#150;   @ &#226;&#251;&#150;   > 20 4C E2 FB 96 02 00 00 40 03 E2 FB 96 02 00 00 
{94} normal block at 0x00000296FBE20B80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000296FBE1FE50, 16 bytes long.
 Data: < A&#226;&#251;&#150;           > 80 41 E2 FB 96 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000296FBE24180, 40 bytes long.
 Data: <P&#254;&#225;&#251;&#150;     &#226;&#251;&#150;   > 50 FE E1 FB 96 02 00 00 80 0B E2 FB 96 02 00 00 
{71} normal block at 0x00000296FBE1F450, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000296FBE1F4F0, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000296FBE1FE00, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000296FBE1F090, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000296FBE1F9F0, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000296FBE1F9A0, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000296FBE1F720, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000296FBE1F310, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000296FBE1F360, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000296FBE1FFE0, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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