Task 38677503

Name test_416-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8019_1
Workunit 31619249
Created 26 Oct 2026, 14:32:15 UTC
Sent 26 Oct 2026, 14:32:24 UTC
Report deadline 31 Oct 2026, 14:32:24 UTC
Received 26 Oct 2026, 15:00:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 25 min 4 sec
CPU time 23 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.89 MB
Peak swap size 9.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:33:47 (22388): wrapper (7.9.26016): starting
10:33:47 (22388): 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
10:33:48 (22388): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:33:48 (22388): 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\1\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\1\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
10:58:04 (22388): C:/Windows/system32/cmd.exe exited; CPU time 1415.375000
10:58:04 (22388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22416139 bytes.
Dumping objects ->
{3835280} normal block at 0x0000023833D64900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000023833D64890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x0000023833D64820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x0000023833D64580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000023833D645F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x0000023835C07C80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000023833DC9C60, 140 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) : {3835191} normal block at 0x0000023833D5EB10, 8 bytes long.
 Data: <  +48   > 00 00 2B 34 38 02 00 00 
{3834567} normal block at 0x0000023833DCA960, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000023833D5E660, 8 bytes long.
 Data: <07&#198;58   > 30 37 C6 35 38 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000023833D609A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023833D56290, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000023833D65440, 16 bytes long.
 Data: <He&#214;38           > 48 65 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023833D66110, 16 bytes long.
 Data: < e&#214;38           > 20 65 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023833D5FF10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000023833D65260, 16 bytes long.
 Data: <&#248;d&#214;38           > F8 64 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023833D65E90, 16 bytes long.
 Data: <&#208;d&#214;38           > D0 64 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023833D65BC0, 16 bytes long.
 Data: <&#168;d&#214;38           > A8 64 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023833D65E40, 16 bytes long.
 Data: < d&#214;38           > 80 64 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023833D64970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000023833D65800, 16 bytes long.
 Data: <&#216;&#142;&#213;38           > D8 8E D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023833D5F6D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000023833D65FD0, 16 bytes long.
 Data: <&#176;&#142;&#213;38           > B0 8E D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023833D65850, 16 bytes long.
 Data: < &#142;&#213;38           > 88 8E D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023833D65F80, 16 bytes long.
 Data: <`&#142;&#213;38           > 60 8E D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023833D657B0, 16 bytes long.
 Data: <8&#142;&#213;38           > 38 8E D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023833D65990, 16 bytes long.
 Data: < &#142;&#213;38           > 10 8E D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023833D656C0, 16 bytes long.
 Data: <&#232; &#213;38           > E8 8D D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023833D5FD30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000023833D65DF0, 16 bytes long.
 Data: <&#192; &#213;38           > C0 8D D5 33 38 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023833D58DC0, 320 bytes long.
 Data: <&#240;]&#214;38   0&#253;&#213;38   > F0 5D D6 33 38 02 00 00 30 FD D5 33 38 02 00 00 
{273} normal block at 0x0000023833D65530, 16 bytes long.
 Data: <`d&#214;38           > 60 64 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023833D65710, 16 bytes long.
 Data: <8d&#214;38           > 38 64 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023833D5F5B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000023833D65DA0, 16 bytes long.
 Data: < d&#214;38           > 10 64 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023833D5FEB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000023833D65F30, 16 bytes long.
 Data: <Xc&#214;38           > 58 63 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023833D653F0, 16 bytes long.
 Data: <0c&#214;38           > 30 63 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023833D65D50, 16 bytes long.
 Data: < c&#214;38           > 08 63 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023833D660C0, 16 bytes long.
 Data: <&#224;b&#214;38           > E0 62 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023833D661B0, 16 bytes long.
 Data: <&#184;b&#214;38           > B8 62 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023833D659E0, 16 bytes long.
 Data: < b&#214;38           > 90 62 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023833D65760, 16 bytes long.
 Data: <PJ&#214;38           > 50 4A D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023833D64A50, 40 bytes long.
 Data: <`W&#214;38    |&#192;58   > 60 57 D6 33 38 02 00 00 80 7C C0 35 38 02 00 00 
{259} normal block at 0x0000023833D654E0, 16 bytes long.
 Data: <pb&#214;38           > 70 62 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023833D65670, 16 bytes long.
 Data: <Hb&#214;38           > 48 62 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023833D5FBB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000023833D65940, 16 bytes long.
 Data: < b&#214;38           > 20 62 D6 33 38 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023833D66220, 992 bytes long.
 Data: <@Y&#214;38   &#176;&#251;&#213;38   > 40 59 D6 33 38 02 00 00 B0 FB D5 33 38 02 00 00 
{91} normal block at 0x0000023833D5FA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000023833D5F0B0, 16 bytes long.
 Data: < &#220;&#212;38           > 00 DC D4 33 38 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000023833D4DC00, 40 bytes long.
 Data: <&#176;&#240;&#213;38   0&#250;&#213;38   > B0 F0 D5 33 38 02 00 00 30 FA D5 33 38 02 00 00 
{68} normal block at 0x0000023833D5ED40, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023833D5E610, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023833D5E480, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023833D5E4D0, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023833D5E7A0, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023833D5F380, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023833D5EAC0, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023833D5E5C0, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023833D5ECF0, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023833D5F1F0, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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