Task 38685800

Name test_461-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1783_0
Workunit 31627256
Created 27 Oct 2026, 23:02:16 UTC
Sent 27 Oct 2026, 23:02:22 UTC
Report deadline 1 Nov 2026, 23:02:22 UTC
Received 28 Oct 2026, 2:02:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645421
Run time 2 hours 32 min 10 sec
CPU time 2 hours 28 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,390.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.53 MB
Peak swap size 5.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:01:56 (8004): wrapper (7.9.26016): starting
16:01:56 (8004): 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
16:01:58 (8004): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:01:58 (8004): 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\12\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\12\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
18:32:47 (8004): C:/Windows/system32/cmd.exe exited; CPU time 8930.875000
18:32:47 (8004): 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: 164672845 bytes.
Dumping objects ->
{3835203} normal block at 0x0000023F4B79D8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000023F49A75C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000023F49A75E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x0000023F49A75BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000023F49A75C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x0000023F4B7EAE50, 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) : {3835115} normal block at 0x0000023F49A70650, 8 bytes long.
 Data: <  &#243;I?   > 00 00 F3 49 3F 02 00 00 
{3833963} normal block at 0x0000023F49A70470, 8 bytes long.
 Data: < U&#132;K?   > 00 55 84 4B 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023F49A71980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023F49A66D60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000023F49A76BD0, 16 bytes long.
 Data: < c&#167;I?           > 08 63 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023F49A772B0, 16 bytes long.
 Data: <&#224;b&#167;I?           > E0 62 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023F49A70000, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000023F49A76680, 16 bytes long.
 Data: <&#184;b&#167;I?           > B8 62 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023F49A771C0, 16 bytes long.
 Data: < b&#167;I?           > 90 62 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023F49A76E00, 16 bytes long.
 Data: <hb&#167;I?           > 68 62 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023F49A76B80, 16 bytes long.
 Data: <@b&#167;I?           > 40 62 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023F49A75A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000023F49A77260, 16 bytes long.
 Data: <&#232;&#180;&#165;I?           > E8 B4 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023F49A701E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000023F49A77210, 16 bytes long.
 Data: <&#192;&#180;&#165;I?           > C0 B4 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023F49A76900, 16 bytes long.
 Data: < &#180;&#165;I?           > 98 B4 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023F49A764F0, 16 bytes long.
 Data: <p&#180;&#165;I?           > 70 B4 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023F49A76D10, 16 bytes long.
 Data: <H&#180;&#165;I?           > 48 B4 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023F49A76CC0, 16 bytes long.
 Data: < &#180;&#165;I?           > 20 B4 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023F49A76770, 16 bytes long.
 Data: <&#248;&#179;&#165;I?           > F8 B3 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023F49A6FF40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000023F49A76C70, 16 bytes long.
 Data: <&#208;&#179;&#165;I?           > D0 B3 A5 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023F49A5B3D0, 320 bytes long.
 Data: <pl&#167;I?   @&#255;&#166;I?   > 70 6C A7 49 3F 02 00 00 40 FF A6 49 3F 02 00 00 
{277} normal block at 0x0000023F49A77030, 16 bytes long.
 Data: < b&#167;I?           > 20 62 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023F49A76540, 16 bytes long.
 Data: <&#248;a&#167;I?           > F8 61 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023F49A6FFA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000023F49A764A0, 16 bytes long.
 Data: <&#208;a&#167;I?           > D0 61 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023F49A6FE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000023F49A76EA0, 16 bytes long.
 Data: < a&#167;I?           > 18 61 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023F49A773A0, 16 bytes long.
 Data: <&#240;`&#167;I?           > F0 60 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023F49A76DB0, 16 bytes long.
 Data: <&#200;`&#167;I?           > C8 60 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023F49A766D0, 16 bytes long.
 Data: <&#160;`&#167;I?           > A0 60 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023F49A767C0, 16 bytes long.
 Data: <x`&#167;I?           > 78 60 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023F49A70B50, 16 bytes long.
 Data: <P`&#167;I?           > 50 60 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023F49A70600, 16 bytes long.
 Data: <&#176;^&#167;I?           > B0 5E A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023F49A75EB0, 40 bytes long.
 Data: <  &#167;I?   P&#174;~K?   > 00 06 A7 49 3F 02 00 00 50 AE 7E 4B 3F 02 00 00 
{263} normal block at 0x0000023F49A705B0, 16 bytes long.
 Data: <0`&#167;I?           > 30 60 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023F49A713C0, 16 bytes long.
 Data: < `&#167;I?           > 08 60 A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023F49A6FEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000023F49A70A10, 16 bytes long.
 Data: <&#224;_&#167;I?           > E0 5F A7 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023F49A75FE0, 992 bytes long.
 Data: <  &#167;I?   &#224;&#254;&#166;I?   > 10 0A A7 49 3F 02 00 00 E0 FE A6 49 3F 02 00 00 
{95} normal block at 0x0000023F49A70180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000023F49A70B00, 16 bytes long.
 Data: <` &#166;I?           > 60 01 A6 49 3F 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023F49A60160, 40 bytes long.
 Data: <  &#167;I?     &#167;I?   > 00 0B A7 49 3F 02 00 00 80 01 A7 49 3F 02 00 00 
{72} normal block at 0x0000023F49A70CE0, 16 bytes long.
 Data: < &#234; t&#247;           > 80 EA 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023F49A70C90, 16 bytes long.
 Data: <@&#233; t&#247;           > 40 E9 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023F49A70790, 16 bytes long.
 Data: <&#248;W t&#247;           > F8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023F49A71050, 16 bytes long.
 Data: <&#216;W t&#247;           > D8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023F49A70830, 16 bytes long.
 Data: <P  t&#247;           > 50 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023F49A70F10, 16 bytes long.
 Data: <0  t&#247;           > 30 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023F49A70DD0, 16 bytes long.
 Data: <&#224;  t&#247;           > E0 02 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023F49A710A0, 16 bytes long.
 Data: <   t&#247;           > 10 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023F49A70AB0, 16 bytes long.
 Data: <p  t&#247;           > 70 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023F49A710F0, 16 bytes long.
 Data: < &#192; t&#247;           > 18 C0 0D 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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