Task 38687351

Name test_395-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6872_0
Workunit 31628743
Created 28 Oct 2026, 7:19:14 UTC
Sent 28 Oct 2026, 7:19:21 UTC
Report deadline 2 Nov 2026, 7:19:21 UTC
Received 28 Oct 2026, 7:57:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 27 sec
CPU time 36 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.84 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:20:40 (7036): wrapper (7.9.26016): starting
08:20:40 (7036): 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
08:20:41 (7036): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:20:41 (7036): 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:\BOINC\ProgramData\slots\3\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:\BOINC\ProgramData\slots\3\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
08:57:08 (7036): C:/Windows/system32/cmd.exe exited; CPU time 2196.953125
08:57:08 (7036): 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: 26635737 bytes.
Dumping objects ->
{3835238} normal block at 0x0000018AE0180D10, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x0000018AE0180E60, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x0000018AE0180CA0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x0000018AE01807D0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x0000018AE01816B0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x0000018AE022C770, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x0000018AE01C8010, 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) : {3835149} normal block at 0x0000018ADE727950, 8 bytes long.
 Data: <  o&#222;&#138;   > 00 00 6F DE 8A 01 00 00 
{3834546} normal block at 0x0000018AE01C7BB0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000018ADE726F00, 8 bytes long.
 Data: <&#192;" &#224;&#138;   > C0 22 1B E0 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000018ADE72D3D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018ADE7161F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000018ADE733940, 16 bytes long.
 Data: <&#184;Cs&#222;&#138;           > B8 43 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018ADE7333A0, 16 bytes long.
 Data: < Cs&#222;&#138;           > 90 43 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018ADE72C330, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000018ADE7338F0, 16 bytes long.
 Data: <hCs&#222;&#138;           > 68 43 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018ADE733300, 16 bytes long.
 Data: <@Cs&#222;&#138;           > 40 43 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018ADE7337B0, 16 bytes long.
 Data: < Cs&#222;&#138;           > 18 43 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018ADE733670, 16 bytes long.
 Data: <&#240;Bs&#222;&#138;           > F0 42 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018ADE72DD40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000018ADE7332B0, 16 bytes long.
 Data: < aq&#222;&#138;           > 88 61 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018ADE72C2D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000018ADE7334E0, 16 bytes long.
 Data: <`aq&#222;&#138;           > 60 61 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018ADE7330D0, 16 bytes long.
 Data: <8aq&#222;&#138;           > 38 61 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018ADE734020, 16 bytes long.
 Data: < aq&#222;&#138;           > 10 61 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018ADE733EE0, 16 bytes long.
 Data: <&#232;`q&#222;&#138;           > E8 60 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018ADE733E90, 16 bytes long.
 Data: <&#192;`q&#222;&#138;           > C0 60 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018ADE733E40, 16 bytes long.
 Data: < `q&#222;&#138;           > 98 60 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018ADE72C6F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000018ADE733DA0, 16 bytes long.
 Data: <p`q&#222;&#138;           > 70 60 71 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018ADE716070, 320 bytes long.
 Data: <&#160;=s&#222;&#138;   &#240;&#198;r&#222;&#138;   > A0 3D 73 DE 8A 01 00 00 F0 C6 72 DE 8A 01 00 00 
{270} normal block at 0x0000018ADE733C10, 16 bytes long.
 Data: <&#208;Bs&#222;&#138;           > D0 42 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018ADE733D00, 16 bytes long.
 Data: <&#168;Bs&#222;&#138;           > A8 42 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018ADE72C270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000018ADE733CB0, 16 bytes long.
 Data: < Bs&#222;&#138;           > 80 42 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018ADE72C630, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000018ADE733FD0, 16 bytes long.
 Data: <&#200;As&#222;&#138;           > C8 41 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018ADE733260, 16 bytes long.
 Data: <&#160;As&#222;&#138;           > A0 41 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018ADE733DF0, 16 bytes long.
 Data: <xAs&#222;&#138;           > 78 41 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018ADE733620, 16 bytes long.
 Data: <PAs&#222;&#138;           > 50 41 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018ADE7338A0, 16 bytes long.
 Data: <(As&#222;&#138;           > 28 41 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018ADE733580, 16 bytes long.
 Data: < As&#222;&#138;           > 00 41 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018ADE733210, 16 bytes long.
 Data: <&#192;&#224;r&#222;&#138;           > C0 E0 72 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018ADE72E0C0, 40 bytes long.
 Data: < 2s&#222;&#138;   p&#199;"&#224;&#138;   > 10 32 73 DE 8A 01 00 00 70 C7 22 E0 8A 01 00 00 
{256} normal block at 0x0000018ADE733AD0, 16 bytes long.
 Data: <&#224;@s&#222;&#138;           > E0 40 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018ADE733760, 16 bytes long.
 Data: <&#184;@s&#222;&#138;           > B8 40 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018ADE72C1B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000018ADE733F80, 16 bytes long.
 Data: < @s&#222;&#138;           > 90 40 73 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000018ADE734090, 992 bytes long.
 Data: < ?s&#222;&#138;   &#176;&#193;r&#222;&#138;   > 80 3F 73 DE 8A 01 00 00 B0 C1 72 DE 8A 01 00 00 
{88} normal block at 0x0000018ADE72C7B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000018ADE727900, 16 bytes long.
 Data: <&#160;&#218;r&#222;&#138;           > A0 DA 72 DE 8A 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000018ADE72DAA0, 40 bytes long.
 Data: < yr&#222;&#138;   &#176;&#199;r&#222;&#138;   > 00 79 72 DE 8A 01 00 00 B0 C7 72 DE 8A 01 00 00 
{65} normal block at 0x0000018ADE726E60, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018ADE726C80, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018ADE727810, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018ADE726E10, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018ADE727040, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018ADE7279F0, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018ADE727770, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018ADE727860, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018ADE7275E0, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018ADE7277C0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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