Task 38681658

Name test_539-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8757_0
Workunit 31623316
Created 27 Oct 2026, 4:51:26 UTC
Sent 27 Oct 2026, 4:51:32 UTC
Report deadline 1 Nov 2026, 4:51:32 UTC
Received 27 Oct 2026, 8:05:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593978
Run time 45 min 31 sec
CPU time 43 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.34 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:21:19 (22524): wrapper (7.9.26016): starting
03:21:19 (22524): 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
03:21:21 (22524): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:21:21 (22524): 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\36\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\36\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
04:04:52 (22524): C:/Windows/system32/cmd.exe exited; CPU time 2596.515625
04:04:52 (22524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 45413768 bytes.
Dumping objects ->
{3835225} normal block at 0x000001835BFC08B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001835BFC0A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001835BFC0D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835192} normal block at 0x000001835BFC0D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001835BFC0840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835150} normal block at 0x000001835C0D57B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x000001835C0EB650, 85 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) : {3835136} normal block at 0x000001835A3D7330, 8 bytes long.
 Data: <  ;Z&#131;   > 00 00 3B 5A 83 01 00 00 
{3834533} normal block at 0x000001835C0EC7D0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001835A3D7B50, 8 bytes long.
 Data: <&#176;B \&#131;   > B0 42 16 5C 83 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001835A3E3210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001835A3CB430, 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 0x000001835A3E4160, 16 bytes long.
 Data: <&#184;T>Z&#131;           > B8 54 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001835A3E4F70, 16 bytes long.
 Data: < T>Z&#131;           > 90 54 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001835A3DE020, 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 0x000001835A3E4ED0, 16 bytes long.
 Data: <hT>Z&#131;           > 68 54 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001835A3E4CF0, 16 bytes long.
 Data: <@T>Z&#131;           > 40 54 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001835A3E44D0, 16 bytes long.
 Data: < T>Z&#131;           > 18 54 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001835A3E49D0, 16 bytes long.
 Data: <&#240;S>Z&#131;           > F0 53 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001835A3DD990, 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 0x000001835A3E4BB0, 16 bytes long.
 Data: <x\<Z&#131;           > 78 5C 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001835A3DE7A0, 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 0x000001835A3E4110, 16 bytes long.
 Data: <P\<Z&#131;           > 50 5C 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001835A3E4930, 16 bytes long.
 Data: <(\<Z&#131;           > 28 5C 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001835A3E4C50, 16 bytes long.
 Data: < \<Z&#131;           > 00 5C 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001835A3E43E0, 16 bytes long.
 Data: <&#216;[<Z&#131;           > D8 5B 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001835A3E4E30, 16 bytes long.
 Data: <&#176;[<Z&#131;           > B0 5B 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001835A3E4B60, 16 bytes long.
 Data: < [<Z&#131;           > 88 5B 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001835A3DDF60, 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 0x000001835A3E48E0, 16 bytes long.
 Data: <`[<Z&#131;           > 60 5B 3C 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001835A3C5B60, 320 bytes long.
 Data: <&#224;H>Z&#131;   `&#223;=Z&#131;   > E0 48 3E 5A 83 01 00 00 60 DF 3D 5A 83 01 00 00 
{272} normal block at 0x000001835A3E4CA0, 16 bytes long.
 Data: <&#208;S>Z&#131;           > D0 53 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001835A3E4B10, 16 bytes long.
 Data: <&#168;S>Z&#131;           > A8 53 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001835A3DDF00, 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 0x000001835A3E47F0, 16 bytes long.
 Data: < S>Z&#131;           > 80 53 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001835A3DDFC0, 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 0x000001835A3E4610, 16 bytes long.
 Data: <&#200;R>Z&#131;           > C8 52 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001835A3E4C00, 16 bytes long.
 Data: <&#160;R>Z&#131;           > A0 52 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001835A3E4DE0, 16 bytes long.
 Data: <xR>Z&#131;           > 78 52 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001835A3E4D90, 16 bytes long.
 Data: <PR>Z&#131;           > 50 52 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001835A3E4890, 16 bytes long.
 Data: <(R>Z&#131;           > 28 52 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001835A3E47A0, 16 bytes long.
 Data: < R>Z&#131;           > 00 52 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001835A3E4430, 16 bytes long.
 Data: <p&#218;=Z&#131;           > 70 DA 3D 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001835A3DDA70, 40 bytes long.
 Data: <0D>Z&#131;   &#176;W \&#131;   > 30 44 3E 5A 83 01 00 00 B0 57 0D 5C 83 01 00 00 
{258} normal block at 0x000001835A3E40C0, 16 bytes long.
 Data: <&#224;Q>Z&#131;           > E0 51 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001835A3E4020, 16 bytes long.
 Data: <&#184;Q>Z&#131;           > B8 51 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001835A3DE5C0, 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 0x000001835A3E4750, 16 bytes long.
 Data: < Q>Z&#131;           > 90 51 3E 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001835A3E5190, 992 bytes long.
 Data: <PG>Z&#131;   &#192;&#229;=Z&#131;   > 50 47 3E 5A 83 01 00 00 C0 E5 3D 5A 83 01 00 00 
{90} normal block at 0x000001835A3DEA40, 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 0x000001835A3D79C0, 16 bytes long.
 Data: <&#176;&#216;=Z&#131;           > B0 D8 3D 5A 83 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001835A3DD8B0, 40 bytes long.
 Data: <&#192;y=Z&#131;   @&#234;=Z&#131;   > C0 79 3D 5A 83 01 00 00 40 EA 3D 5A 83 01 00 00 
{67} normal block at 0x000001835A3D7EC0, 16 bytes long.
 Data: < &#234;&#217;&#218;&#247;           > 80 EA D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001835A3D7A10, 16 bytes long.
 Data: <@&#233;&#217;&#218;&#247;           > 40 E9 D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001835A3D7D80, 16 bytes long.
 Data: <&#248;W&#214;&#218;&#247;           > F8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001835A3D7470, 16 bytes long.
 Data: <&#216;W&#214;&#218;&#247;           > D8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001835A3D7880, 16 bytes long.
 Data: <P &#214;&#218;&#247;           > 50 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001835A3D8140, 16 bytes long.
 Data: <0 &#214;&#218;&#247;           > 30 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001835A3D80A0, 16 bytes long.
 Data: <&#224; &#214;&#218;&#247;           > E0 02 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001835A3D7D30, 16 bytes long.
 Data: <  &#214;&#218;&#247;           > 10 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001835A3D7510, 16 bytes long.
 Data: <p &#214;&#218;&#247;           > 70 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001835A3D7240, 16 bytes long.
 Data: < &#192;&#212;&#218;&#247;           > 18 C0 D4 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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