Task 38674718

Name test_743-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0875_0
Workunit 31616740
Created 26 Oct 2026, 6:08:08 UTC
Sent 26 Oct 2026, 6:08:13 UTC
Report deadline 31 Oct 2026, 6:08:13 UTC
Received 26 Oct 2026, 8:34:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654842
Run time 40 min 55 sec
CPU time 39 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.23 MB
Peak swap size 11.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:51:50 (20244): wrapper (7.9.26016): starting
09:51:50 (20244): 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
09:51:52 (20244): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:51:52 (20244): 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 'E:\ProgramData\BOINC\slots\0\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 'E:\ProgramData\BOINC\slots\0\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
10:32:04 (20244): C:/Windows/system32/cmd.exe exited; CPU time 2384.593750
10:32:04 (20244): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 36455131 bytes.
Dumping objects ->
{3835234} normal block at 0x0000020024867CF0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000020024867E40, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000020024867740, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000020024867200, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000020024867900, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000200247CC800, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000020022C9BA00, 160 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) : {3835145} normal block at 0x0000020022BB7250, 8 bytes long.
 Data: <  Q$    > 00 00 51 24 00 02 00 00 
{3834544} normal block at 0x0000020022C9C020, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000020022BB6C10, 8 bytes long.
 Data: <&#160;d&#142;$    > A0 64 8E 24 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000020022BC1370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020022BBC6D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000020022BC2860, 16 bytes long.
 Data: <xH&#188;"            > 78 48 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020022BC2180, 16 bytes long.
 Data: <PH&#188;"            > 50 48 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020022BBCE80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000020022BC2A90, 16 bytes long.
 Data: <(H&#188;"            > 28 48 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020022BC3080, 16 bytes long.
 Data: < H&#188;"            > 00 48 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020022BC3030, 16 bytes long.
 Data: <&#216;G&#188;"            > D8 47 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020022BC29A0, 16 bytes long.
 Data: <&#176;G&#188;"            > B0 47 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020022BBB3F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000020022BC2F40, 16 bytes long.
 Data: <h&#198;&#187;"            > 68 C6 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020022BBD540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000020022BC2EF0, 16 bytes long.
 Data: <@&#198;&#187;"            > 40 C6 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020022BC2950, 16 bytes long.
 Data: < &#198;&#187;"            > 18 C6 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020022BC2EA0, 16 bytes long.
 Data: <&#240;&#197;&#187;"            > F0 C5 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020022BC24A0, 16 bytes long.
 Data: <&#200;&#197;&#187;"            > C8 C5 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020022BC24F0, 16 bytes long.
 Data: <&#160;&#197;&#187;"            > A0 C5 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020022BC2E50, 16 bytes long.
 Data: <x&#197;&#187;"            > 78 C5 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020022BBD1E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000020022BC2450, 16 bytes long.
 Data: <P&#197;&#187;"            > 50 C5 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020022BBC550, 320 bytes long.
 Data: <P$&#188;"    &#224;&#209;&#187;"    > 50 24 BC 22 00 02 00 00 E0 D1 BB 22 00 02 00 00 
{269} normal block at 0x0000020022BC2D10, 16 bytes long.
 Data: < G&#188;"            > 90 47 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020022BC2360, 16 bytes long.
 Data: <hG&#188;"            > 68 47 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020022BBCFA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000020022BC23B0, 16 bytes long.
 Data: <@G&#188;"            > 40 47 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020022BBC940, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000020022BC2C70, 16 bytes long.
 Data: < F&#188;"            > 88 46 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020022BC2FE0, 16 bytes long.
 Data: <`F&#188;"            > 60 46 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020022BC2E00, 16 bytes long.
 Data: <8F&#188;"            > 38 46 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020022BC2220, 16 bytes long.
 Data: < F&#188;"            > 10 46 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020022BC2400, 16 bytes long.
 Data: <&#232;E&#188;"            > E8 45 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020022BC2DB0, 16 bytes long.
 Data: <&#192;E&#188;"            > C0 45 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020022BC2810, 16 bytes long.
 Data: <&#208;&#180;&#187;"            > D0 B4 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020022BBB4D0, 40 bytes long.
 Data: < (&#188;"     &#200;|$    > 10 28 BC 22 00 02 00 00 00 C8 7C 24 00 02 00 00 
{255} normal block at 0x0000020022BC22C0, 16 bytes long.
 Data: <&#160;E&#188;"            > A0 45 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020022BC2C20, 16 bytes long.
 Data: <xE&#188;"            > 78 45 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020022BBCAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000020022BC25E0, 16 bytes long.
 Data: <PE&#188;"            > 50 45 BC 22 00 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020022BC4550, 992 bytes long.
 Data: <&#224;%&#188;"    &#192;&#202;&#187;"    > E0 25 BC 22 00 02 00 00 C0 CA BB 22 00 02 00 00 
{87} normal block at 0x0000020022BBD3C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000020022BB7430, 16 bytes long.
 Data: <&#160;&#185;&#187;"            > A0 B9 BB 22 00 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000020022BBB9A0, 40 bytes long.
 Data: <0t&#187;"    &#192;&#211;&#187;"    > 30 74 BB 22 00 02 00 00 C0 D3 BB 22 00 02 00 00 
{64} normal block at 0x0000020022BB6A30, 16 bytes long.
 Data: < &#234;&#207;&#208;&#247;           > 80 EA CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020022BB69E0, 16 bytes long.
 Data: <@&#233;&#207;&#208;&#247;           > 40 E9 CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020022BB6A80, 16 bytes long.
 Data: <&#248;W&#204;&#208;&#247;           > F8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020022BB6670, 16 bytes long.
 Data: <&#216;W&#204;&#208;&#247;           > D8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020022BB7200, 16 bytes long.
 Data: <P &#204;&#208;&#247;           > 50 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020022BB71B0, 16 bytes long.
 Data: <0 &#204;&#208;&#247;           > 30 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020022BB6990, 16 bytes long.
 Data: <&#224; &#204;&#208;&#247;           > E0 02 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020022BB6DF0, 16 bytes long.
 Data: <  &#204;&#208;&#247;           > 10 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020022BB6EE0, 16 bytes long.
 Data: <p &#204;&#208;&#247;           > 70 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020022BB6940, 16 bytes long.
 Data: < &#192;&#202;&#208;&#247;           > 18 C0 CA D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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