Task 38686741

Name test_306-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6290_0
Workunit 31628160
Created 28 Oct 2026, 4:08:27 UTC
Sent 28 Oct 2026, 4:08:37 UTC
Report deadline 2 Nov 2026, 4:08:37 UTC
Received 28 Oct 2026, 6:37:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651581
Run time 2 hours 25 min 15 sec
CPU time 2 hours 8 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.82 MB
Peak swap size 5.20 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:15:26 (18576): wrapper (7.9.26016): starting
05:15:26 (18576): 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
05:15:28 (18576): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:15:28 (18576): 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
07:37:06 (18576): C:/Windows/system32/cmd.exe exited; CPU time 7737.968750
07:37:06 (18576): 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: 153522583 bytes.
Dumping objects ->
{3835364} normal block at 0x0000013F8CB911D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835353} normal block at 0x0000013F8CB90E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835342} normal block at 0x0000013F8CB90FA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835331} normal block at 0x0000013F8CB90910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835320} normal block at 0x0000013F8ACD0070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835289} normal block at 0x0000013F8CAB6950, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000013F8CAC9E00, 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) : {3835275} normal block at 0x0000013F8AC98450, 8 bytes long.
 Data: <   &#139;?   > 00 00 1C 8B 3F 01 00 00 
{3834617} normal block at 0x0000013F8CAC9670, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000013F8AC98360, 8 bytes long.
 Data: <  &#177;&#140;?   > 10 10 B1 8C 3F 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000013F8AC5CB20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013F8AC4E420, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000013F8ACD09E0, 16 bytes long.
 Data: <H &#205;&#138;?           > 48 08 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013F8ACD0CB0, 16 bytes long.
 Data: <  &#205;&#138;?           > 20 08 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013F8AC94650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000013F8ACD10C0, 16 bytes long.
 Data: <&#248; &#205;&#138;?           > F8 07 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013F8ACD0AD0, 16 bytes long.
 Data: <&#208; &#205;&#138;?           > D0 07 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013F8ACD1610, 16 bytes long.
 Data: <&#168; &#205;&#138;?           > A8 07 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013F8ACD18E0, 16 bytes long.
 Data: <  &#205;&#138;?           > 80 07 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013F8ACD0230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000013F8ACD1020, 16 bytes long.
 Data: <&#168;&#181;&#204;&#138;?           > A8 B5 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013F8AC94050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000013F8ACD0EE0, 16 bytes long.
 Data: < &#181;&#204;&#138;?           > 80 B5 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013F8ACD0C10, 16 bytes long.
 Data: <X&#181;&#204;&#138;?           > 58 B5 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013F8ACD1480, 16 bytes long.
 Data: <0&#181;&#204;&#138;?           > 30 B5 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013F8ACD1570, 16 bytes long.
 Data: < &#181;&#204;&#138;?           > 08 B5 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013F8ACD1520, 16 bytes long.
 Data: <&#224;&#180;&#204;&#138;?           > E0 B4 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013F8ACD0BC0, 16 bytes long.
 Data: <&#184;&#180;&#204;&#138;?           > B8 B4 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013F8AC94890, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x0000013F8ACD0C60, 16 bytes long.
 Data: < &#180;&#204;&#138;?           > 90 B4 CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013F8ACCB490, 320 bytes long.
 Data: <` &#205;&#138;?    H&#201;&#138;?   > 60 0C CD 8A 3F 01 00 00 90 48 C9 8A 3F 01 00 00 
{274} normal block at 0x0000013F8ACD16B0, 16 bytes long.
 Data: <` &#205;&#138;?           > 60 07 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013F8ACD0E90, 16 bytes long.
 Data: <8 &#205;&#138;?           > 38 07 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013F8AC93FF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000013F8ACD15C0, 16 bytes long.
 Data: <  &#205;&#138;?           > 10 07 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013F8AC94E30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000013F8ACD0B70, 16 bytes long.
 Data: <X &#205;&#138;?           > 58 06 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013F8ACD17A0, 16 bytes long.
 Data: <0 &#205;&#138;?           > 30 06 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013F8ACD1160, 16 bytes long.
 Data: <  &#205;&#138;?           > 08 06 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013F8ACD13E0, 16 bytes long.
 Data: <&#224; &#205;&#138;?           > E0 05 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013F8ACD0E40, 16 bytes long.
 Data: <&#184; &#205;&#138;?           > B8 05 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013F8AC98310, 16 bytes long.
 Data: <  &#205;&#138;?           > 90 05 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013F8AC980E0, 16 bytes long.
 Data: < &#252;&#204;&#138;?           > 80 FC CC 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013F8ACCFC80, 40 bytes long.
 Data: <&#224; &#201;&#138;?   Pi&#171;&#140;?   > E0 80 C9 8A 3F 01 00 00 50 69 AB 8C 3F 01 00 00 
{260} normal block at 0x0000013F8AC98CC0, 16 bytes long.
 Data: <p &#205;&#138;?           > 70 05 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013F8AC98090, 16 bytes long.
 Data: <H &#205;&#138;?           > 48 05 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013F8AC94830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000013F8AC98C20, 16 bytes long.
 Data: <  &#205;&#138;?           > 20 05 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000013F8ACD0520, 992 bytes long.
 Data: < &#140;&#201;&#138;?   0H&#201;&#138;?   > 20 8C C9 8A 3F 01 00 00 30 48 C9 8A 3F 01 00 00 
{92} normal block at 0x0000013F8AC94B90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000013F8AC98810, 16 bytes long.
 Data: <&#224; &#205;&#138;?           > E0 00 CD 8A 3F 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000013F8ACD00E0, 40 bytes long.
 Data: <  &#201;&#138;?    K&#201;&#138;?   > 10 88 C9 8A 3F 01 00 00 90 4B C9 8A 3F 01 00 00 
{69} normal block at 0x0000013F8AC98D10, 16 bytes long.
 Data: < &#234;&#172;n&#246;           > 80 EA AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013F8AC983B0, 16 bytes long.
 Data: <@&#233;&#172;n&#246;           > 40 E9 AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013F8AC987C0, 16 bytes long.
 Data: <&#248;W&#169;n&#246;           > F8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013F8AC98770, 16 bytes long.
 Data: <&#216;W&#169;n&#246;           > D8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013F8AC98040, 16 bytes long.
 Data: <P &#169;n&#246;           > 50 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013F8AC982C0, 16 bytes long.
 Data: <0 &#169;n&#246;           > 30 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013F8AC98EA0, 16 bytes long.
 Data: <&#224; &#169;n&#246;           > E0 02 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013F8AC98220, 16 bytes long.
 Data: <  &#169;n&#246;           > 10 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013F8AC98E00, 16 bytes long.
 Data: <p &#169;n&#246;           > 70 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013F8AC981D0, 16 bytes long.
 Data: < &#192;&#167;n&#246;           > 18 C0 A7 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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