Task 38678021

Name test_762-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7027_0
Workunit 31619864
Created 26 Oct 2026, 16:07:55 UTC
Sent 26 Oct 2026, 16:07:57 UTC
Report deadline 31 Oct 2026, 16:07:57 UTC
Received 26 Oct 2026, 17:39:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 21 min 8 sec
CPU time 19 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.16 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:18:09 (14448): wrapper (7.9.26016): starting
17:18:09 (14448): 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
17:18:10 (14448): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:18:10 (14448): 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\13\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\13\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
17:38:31 (14448): C:/Windows/system32/cmd.exe exited; CPU time 1158.437500
17:38:31 (14448): 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: 20781987 bytes.
Dumping objects ->
{3835253} normal block at 0x000002560BB7DC50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000025609D667A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000025609D66650, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000025609D665E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000025609D66500, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002560BBC5880, 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) : {3835165} normal block at 0x0000025609D614B0, 8 bytes long.
 Data: <  &#208;	V   > 00 00 D0 09 56 02 00 00 
{3833961} normal block at 0x0000025609D61A50, 8 bytes long.
 Data: <&#192;X&#194; V   > C0 58 C2 0B 56 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025609D62AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025609D585E0, 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 0x0000025609D66E70, 16 bytes long.
 Data: <&#216;l&#214;	V           > D8 6C D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025609D670A0, 16 bytes long.
 Data: <&#176;l&#214;	V           > B0 6C D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025609D610D0, 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 0x0000025609D67BE0, 16 bytes long.
 Data: < l&#214;	V           > 88 6C D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025609D67780, 16 bytes long.
 Data: <`l&#214;	V           > 60 6C D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025609D66F10, 16 bytes long.
 Data: <8l&#214;	V           > 38 6C D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025609D67460, 16 bytes long.
 Data: < l&#214;	V           > 10 6C D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025609D66730, 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 0x0000025609D67B90, 16 bytes long.
 Data: <  &#213;	V           > 98 07 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025609D60A10, 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 0x0000025609D673C0, 16 bytes long.
 Data: <p &#213;	V           > 70 07 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025609D67730, 16 bytes long.
 Data: <H &#213;	V           > 48 07 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025609D67190, 16 bytes long.
 Data: <  &#213;	V           > 20 07 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025609D67910, 16 bytes long.
 Data: <&#248; &#213;	V           > F8 06 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025609D67AF0, 16 bytes long.
 Data: <&#208; &#213;	V           > D0 06 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025609D67140, 16 bytes long.
 Data: <&#168; &#213;	V           > A8 06 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025609D60770, 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 0x0000025609D672D0, 16 bytes long.
 Data: <  &#213;	V           > 80 06 D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025609D50680, 320 bytes long.
 Data: <&#208;r&#214;	V   p &#214;	V   > D0 72 D6 09 56 02 00 00 70 07 D6 09 56 02 00 00 
{276} normal block at 0x0000025609D67280, 16 bytes long.
 Data: <&#240;k&#214;	V           > F0 6B D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025609D67D20, 16 bytes long.
 Data: <&#200;k&#214;	V           > C8 6B D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025609D60CB0, 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 0x0000025609D67B40, 16 bytes long.
 Data: <&#160;k&#214;	V           > A0 6B D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025609D60A70, 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 0x0000025609D67370, 16 bytes long.
 Data: <&#232;j&#214;	V           > E8 6A D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025609D67000, 16 bytes long.
 Data: <&#192;j&#214;	V           > C0 6A D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025609D67AA0, 16 bytes long.
 Data: < j&#214;	V           > 98 6A D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025609D67410, 16 bytes long.
 Data: <pj&#214;	V           > 70 6A D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025609D613C0, 16 bytes long.
 Data: <Hj&#214;	V           > 48 6A D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025609D612D0, 16 bytes long.
 Data: < j&#214;	V           > 20 6A D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025609D61230, 16 bytes long.
 Data: <&#240;h&#214;	V           > F0 68 D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025609D668F0, 40 bytes long.
 Data: <0 &#214;	V    X&#188; V   > 30 12 D6 09 56 02 00 00 80 58 BC 0B 56 02 00 00 
{262} normal block at 0x0000025609D61460, 16 bytes long.
 Data: < j&#214;	V           > 00 6A D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025609D62090, 16 bytes long.
 Data: <&#216;i&#214;	V           > D8 69 D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025609D60350, 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 0x0000025609D61640, 16 bytes long.
 Data: <&#176;i&#214;	V           > B0 69 D6 09 56 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025609D669B0, 992 bytes long.
 Data: <@ &#214;	V   P &#214;	V   > 40 16 D6 09 56 02 00 00 50 03 D6 09 56 02 00 00 
{94} normal block at 0x0000025609D60710, 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 0x0000025609D615F0, 16 bytes long.
 Data: <  &#213;	V           > 00 0D D5 09 56 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025609D50D00, 40 bytes long.
 Data: <&#240; &#214;	V     &#214;	V   > F0 15 D6 09 56 02 00 00 10 07 D6 09 56 02 00 00 
{71} normal block at 0x0000025609D61CD0, 16 bytes long.
 Data: < &#234;tx&#247;           > 80 EA 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025609D61320, 16 bytes long.
 Data: <@&#233;tx&#247;           > 40 E9 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025609D61FF0, 16 bytes long.
 Data: <&#248;Wqx&#247;           > F8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025609D61B90, 16 bytes long.
 Data: <&#216;Wqx&#247;           > D8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025609D61280, 16 bytes long.
 Data: <P qx&#247;           > 50 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025609D620E0, 16 bytes long.
 Data: <0 qx&#247;           > 30 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025609D61C30, 16 bytes long.
 Data: <&#224; qx&#247;           > E0 02 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025609D61960, 16 bytes long.
 Data: <  qx&#247;           > 10 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025609D61A00, 16 bytes long.
 Data: <p qx&#247;           > 70 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025609D61550, 16 bytes long.
 Data: < &#192;ox&#247;           > 18 C0 6F 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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