Task 38699483

Name test_384-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7984_0
Workunit 31639881
Created 4 Nov 2026, 11:09:36 UTC
Sent 4 Nov 2026, 11:09:41 UTC
Report deadline 9 Nov 2026, 11:09:41 UTC
Received 4 Nov 2026, 15:50:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 18 min 12 sec
CPU time 1 hours 11 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 646.90 MB
Peak swap size 2.32 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:34:09 (9500): wrapper (7.9.26016): starting
15:34:09 (9500): 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
15:34:11 (9500): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:34:11 (9500): 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\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 'C:\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
16:49:24 (9500): C:/Windows/system32/cmd.exe exited; CPU time 4291.250000
16:49:24 (9500): 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: 52037209 bytes.
Dumping objects ->
{3835177} normal block at 0x0000023B8F5CAF00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000023B8F5CAAA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x0000023B8D9B1750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835144} normal block at 0x0000023B8D9B1B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000023B8D9B17C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835102} normal block at 0x0000023B8F612F60, 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) : {3835089} normal block at 0x0000023B8D9A7370, 8 bytes long.
 Data: <  F&#143;;   > 00 00 46 8F 3B 02 00 00 
{3833945} normal block at 0x0000023B8D9A72D0, 8 bytes long.
 Data: <  g&#143;;   > 00 15 67 8F 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023B8D9B2000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023B8D99AE30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000023B8D9B3900, 16 bytes long.
 Data: <xC&#155;&#141;;           > 78 43 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023B8D9B3450, 16 bytes long.
 Data: <PC&#155;&#141;;           > 50 43 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023B8D9AD120, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000023B8D9B33B0, 16 bytes long.
 Data: <(C&#155;&#141;;           > 28 43 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023B8D9B3540, 16 bytes long.
 Data: < C&#155;&#141;;           > 00 43 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023B8D9B3B80, 16 bytes long.
 Data: <&#216;B&#155;&#141;;           > D8 42 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023B8D9B32C0, 16 bytes long.
 Data: <&#176;B&#155;&#141;;           > B0 42 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B8D9B1440, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000023B8D9B3950, 16 bytes long.
 Data: <hZ &#141;;           > 68 5A 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B8D9AD0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000023B8D9B3270, 16 bytes long.
 Data: <@Z &#141;;           > 40 5A 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023B8D9B38B0, 16 bytes long.
 Data: < Z &#141;;           > 18 5A 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023B8D9B30E0, 16 bytes long.
 Data: <&#240;Y &#141;;           > F0 59 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B8D9B3090, 16 bytes long.
 Data: <&#200;Y &#141;;           > C8 59 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023B8D9B3220, 16 bytes long.
 Data: <&#160;Y &#141;;           > A0 59 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023B8D9B3770, 16 bytes long.
 Data: <xY &#141;;           > 78 59 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023B8D9AD4E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000023B8D9B3130, 16 bytes long.
 Data: <PY &#141;;           > 50 59 99 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023B8D995950, 320 bytes long.
 Data: <01&#155;&#141;;   &#224;&#212;&#154;&#141;;   > 30 31 9B 8D 3B 02 00 00 E0 D4 9A 8D 3B 02 00 00 
{268} normal block at 0x0000023B8D9B3EF0, 16 bytes long.
 Data: < B&#155;&#141;;           > 90 42 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023B8D9B3720, 16 bytes long.
 Data: <hB&#155;&#141;;           > 68 42 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023B8D9AD480, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000023B8D9B3AE0, 16 bytes long.
 Data: <@B&#155;&#141;;           > 40 42 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023B8D9AD6C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000023B8D9B3D60, 16 bytes long.
 Data: < A&#155;&#141;;           > 88 41 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023B8D9B3FE0, 16 bytes long.
 Data: <`A&#155;&#141;;           > 60 41 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023B8D9B3360, 16 bytes long.
 Data: <8A&#155;&#141;;           > 38 41 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023B8D9B3C20, 16 bytes long.
 Data: < A&#155;&#141;;           > 10 41 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023B8D9B3310, 16 bytes long.
 Data: <&#232;@&#155;&#141;;           > E8 40 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023B8D9B3C70, 16 bytes long.
 Data: <&#192;@&#155;&#141;;           > C0 40 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023B8D9B36D0, 16 bytes long.
 Data: <&#240; &#155;&#141;;           > F0 19 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023B8D9B19F0, 40 bytes long.
 Data: <&#208;6&#155;&#141;;   `/a&#143;;   > D0 36 9B 8D 3B 02 00 00 60 2F 61 8F 3B 02 00 00 
{254} normal block at 0x0000023B8D9B3CC0, 16 bytes long.
 Data: <&#160;@&#155;&#141;;           > A0 40 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023B8D9B3180, 16 bytes long.
 Data: <x@&#155;&#141;;           > 78 40 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023B8D9ADBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000023B8D9B37C0, 16 bytes long.
 Data: <P@&#155;&#141;;           > 50 40 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000023B8D9B4050, 992 bytes long.
 Data: <&#192;7&#155;&#141;;   &#160;&#219;&#154;&#141;;   > C0 37 9B 8D 3B 02 00 00 A0 DB 9A 8D 3B 02 00 00 
{86} normal block at 0x0000023B8D9ADDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000023B8D9A7A50, 16 bytes long.
 Data: <0 &#155;&#141;;           > 30 18 9B 8D 3B 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000023B8D9B1830, 40 bytes long.
 Data: <Pz&#154;&#141;;   &#224;&#221;&#154;&#141;;   > 50 7A 9A 8D 3B 02 00 00 E0 DD 9A 8D 3B 02 00 00 
{63} normal block at 0x0000023B8D9A7A00, 16 bytes long.
 Data: < &#234; &#197;&#247;           > 80 EA 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023B8D9A7B40, 16 bytes long.
 Data: <@&#233; &#197;&#247;           > 40 E9 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023B8D9A7190, 16 bytes long.
 Data: <&#248;W &#197;&#247;           > F8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023B8D9A75F0, 16 bytes long.
 Data: <&#216;W &#197;&#247;           > D8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023B8D9A7960, 16 bytes long.
 Data: <P  &#197;&#247;           > 50 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023B8D9A7910, 16 bytes long.
 Data: <0  &#197;&#247;           > 30 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023B8D9A76E0, 16 bytes long.
 Data: <&#224;  &#197;&#247;           > E0 02 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023B8D9A7820, 16 bytes long.
 Data: <   &#197;&#247;           > 10 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023B8D9A7280, 16 bytes long.
 Data: <p  &#197;&#247;           > 70 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000023B8D9A7D20, 16 bytes long.
 Data: < &#192; &#197;&#247;           > 18 C0 0D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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