Task 38688272

Name test_6-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2363_0
Workunit 31629631
Created 28 Oct 2026, 12:47:25 UTC
Sent 28 Oct 2026, 12:47:25 UTC
Report deadline 2 Nov 2026, 12:47:25 UTC
Received 28 Oct 2026, 13:52:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min
CPU time 33 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.80 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:08:30 (11444): wrapper (7.9.26016): starting
09:08:30 (11444): 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
09:08:31 (11444): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:08:31 (11444): 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\7\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\7\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
09:42:03 (11444): C:/Windows/system32/cmd.exe exited; CPU time 1991.953125
09:42:03 (11444): 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: 32482057 bytes.
Dumping objects ->
{3835185} normal block at 0x000001AE55344C50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000001AE55344BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001AE55344B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x000001AE55344B00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x000001AE55344A20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x000001AE56FF7B00, 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) : {3835097} normal block at 0x000001AE55340600, 8 bytes long.
 Data: <  &#130;U&#174;   > 00 00 82 55 AE 01 00 00 
{3833953} normal block at 0x000001AE55341190, 8 bytes long.
 Data: < &#235;AU&#174;   > 80 EB 41 55 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001AE5533EF40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AE55335C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001AE55345EE0, 16 bytes long.
 Data: < e4U&#174;           > 98 65 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AE55345440, 16 bytes long.
 Data: <pe4U&#174;           > 70 65 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AE5533FE10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001AE55345A30, 16 bytes long.
 Data: <He4U&#174;           > 48 65 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AE55345940, 16 bytes long.
 Data: < e4U&#174;           > 20 65 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AE55345990, 16 bytes long.
 Data: <&#248;d4U&#174;           > F8 64 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AE55345850, 16 bytes long.
 Data: <&#208;d4U&#174;           > D0 64 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AE55344DA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001AE55346070, 16 bytes long.
 Data: <(&#242;2U&#174;           > 28 F2 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AE5533F5D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001AE55346020, 16 bytes long.
 Data: < &#242;2U&#174;           > 00 F2 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AE55345800, 16 bytes long.
 Data: <&#216;&#241;2U&#174;           > D8 F1 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AE55346160, 16 bytes long.
 Data: <&#176;&#241;2U&#174;           > B0 F1 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AE55345E90, 16 bytes long.
 Data: < &#241;2U&#174;           > 88 F1 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AE55345E40, 16 bytes long.
 Data: <`&#241;2U&#174;           > 60 F1 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AE55345C60, 16 bytes long.
 Data: <8&#241;2U&#174;           > 38 F1 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AE5533F3F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001AE55345A80, 16 bytes long.
 Data: < &#241;2U&#174;           > 10 F1 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AE5532F110, 320 bytes long.
 Data: < Z4U&#174;   &#240;&#243;3U&#174;   > 80 5A 34 55 AE 01 00 00 F0 F3 33 55 AE 01 00 00 
{272} normal block at 0x000001AE55345DF0, 16 bytes long.
 Data: <&#176;d4U&#174;           > B0 64 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AE553460C0, 16 bytes long.
 Data: < d4U&#174;           > 88 64 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AE5533F990, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001AE55345350, 16 bytes long.
 Data: <`d4U&#174;           > 60 64 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AE5533F2D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001AE55345620, 16 bytes long.
 Data: <&#168;c4U&#174;           > A8 63 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AE55345BC0, 16 bytes long.
 Data: < c4U&#174;           > 80 63 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AE553457B0, 16 bytes long.
 Data: <Xc4U&#174;           > 58 63 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AE55345FD0, 16 bytes long.
 Data: <0c4U&#174;           > 30 63 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AE55345F80, 16 bytes long.
 Data: < c4U&#174;           > 08 63 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AE553453F0, 16 bytes long.
 Data: <&#224;b4U&#174;           > E0 62 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AE553458F0, 16 bytes long.
 Data: <&#240;G4U&#174;           > F0 47 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AE553447F0, 40 bytes long.
 Data: <&#240;X4U&#174;    {&#255;V&#174;   > F0 58 34 55 AE 01 00 00 00 7B FF 56 AE 01 00 00 
{258} normal block at 0x000001AE553454E0, 16 bytes long.
 Data: <&#192;b4U&#174;           > C0 62 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AE55345530, 16 bytes long.
 Data: < b4U&#174;           > 98 62 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AE55340110, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001AE55345710, 16 bytes long.
 Data: <pb4U&#174;           > 70 62 34 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AE55346270, 992 bytes long.
 Data: < W4U&#174;     4U&#174;   > 10 57 34 55 AE 01 00 00 10 01 34 55 AE 01 00 00 
{90} normal block at 0x000001AE5533F450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001AE55341050, 16 bytes long.
 Data: < &#238;2U&#174;           > 10 EE 32 55 AE 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001AE5532EE10, 40 bytes long.
 Data: <P 4U&#174;   P&#244;3U&#174;   > 50 10 34 55 AE 01 00 00 50 F4 33 55 AE 01 00 00 
{67} normal block at 0x000001AE55340560, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AE553405B0, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AE553403D0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AE55341000, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AE55340EC0, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AE55340510, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AE55340FB0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AE55340C40, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AE55340CE0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AE553408D0, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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