Task 38688953

Name test_230-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8756_0
Workunit 31630245
Created 28 Oct 2026, 17:11:54 UTC
Sent 28 Oct 2026, 17:11:58 UTC
Report deadline 2 Nov 2026, 17:11:58 UTC
Received 28 Oct 2026, 19:30:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618719
Run time 2 hours 3 min 32 sec
CPU time 1 hours 54 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,538.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 637.38 MB
Peak swap size 2.20 GB
Peak disk usage 3.41 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:32:15 (2052): wrapper (7.9.26016): starting
18:32:15 (2052): 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
18:32:18 (2052): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:32:19 (2052): 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
20:29:25 (2052): C:/Windows/system32/cmd.exe exited; CPU time 6874.453125
20:29:25 (2052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 73388119 bytes.
Dumping objects ->
{3835251} normal block at 0x0000025DD1C21BB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000025DD1C21A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000025DD1C21750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x0000025DD1C21EC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000025DD1C217C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x0000025DD1CCAF10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000025DD00D6370, 145 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) : {3835162} normal block at 0x0000025DD0070590, 8 bytes long.
 Data: <  &#163;&#209;]   > 00 00 A3 D1 5D 02 00 00 
{3834548} normal block at 0x0000025DD00D6440, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000025DD00700E0, 8 bytes long.
 Data: <pa&#214;&#209;]   > 70 61 D6 D1 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000025DD0070990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025DD005AAB0, 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 0x0000025DD0066300, 16 bytes long.
 Data: <&#184;  &#208;]           > B8 1F 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025DD00662B0, 16 bytes long.
 Data: <   &#208;]           > 90 1F 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025DD006C380, 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 0x0000025DD0065D60, 16 bytes long.
 Data: <h  &#208;]           > 68 1F 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025DD0066210, 16 bytes long.
 Data: <@  &#208;]           > 40 1F 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025DD0065D10, 16 bytes long.
 Data: <   &#208;]           > 18 1F 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025DD0065CC0, 16 bytes long.
 Data: <&#240;  &#208;]           > F0 1E 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025DD006AED0, 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 0x0000025DD0065F40, 16 bytes long.
 Data: <x&#189; &#208;]           > 78 BD 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025DD006C320, 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 0x0000025DD0065C70, 16 bytes long.
 Data: <P&#189; &#208;]           > 50 BD 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025DD0066170, 16 bytes long.
 Data: <(&#189; &#208;]           > 28 BD 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025DD0066120, 16 bytes long.
 Data: < &#189; &#208;]           > 00 BD 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025DD0066AD0, 16 bytes long.
 Data: <&#216;&#188; &#208;]           > D8 BC 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025DD0070450, 16 bytes long.
 Data: <&#176;&#188; &#208;]           > B0 BC 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025DD00703B0, 16 bytes long.
 Data: < &#188; &#208;]           > 88 BC 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025DD006CC80, 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 0x0000025DD0070270, 16 bytes long.
 Data: <`&#188; &#208;]           > 60 BC 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025DD006BC60, 320 bytes long.
 Data: <p  &#208;]    &#204; &#208;]   > 70 02 07 D0 5D 02 00 00 80 CC 06 D0 5D 02 00 00 
{268} normal block at 0x0000025DD0070220, 16 bytes long.
 Data: <&#208;  &#208;]           > D0 1E 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025DD0070360, 16 bytes long.
 Data: <&#168;  &#208;]           > A8 1E 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025DD006C0E0, 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 0x0000025DD00701D0, 16 bytes long.
 Data: <   &#208;]           > 80 1E 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025DD006CB00, 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 0x0000025DD0070310, 16 bytes long.
 Data: <&#200;  &#208;]           > C8 1D 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025DD0070180, 16 bytes long.
 Data: <&#160;  &#208;]           > A0 1D 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025DD0070090, 16 bytes long.
 Data: <x  &#208;]           > 78 1D 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025DD00706D0, 16 bytes long.
 Data: <P  &#208;]           > 50 1D 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025DD00702C0, 16 bytes long.
 Data: <(  &#208;]           > 28 1D 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025DD00704A0, 16 bytes long.
 Data: <   &#208;]           > 00 1D 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025DD0070720, 16 bytes long.
 Data: <&#240;&#173; &#208;]           > F0 AD 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025DD006ADF0, 40 bytes long.
 Data: <   &#208;]    &#175;&#204;&#209;]   > 20 07 07 D0 5D 02 00 00 10 AF CC D1 5D 02 00 00 
{254} normal block at 0x0000025DD00707C0, 16 bytes long.
 Data: <&#224;  &#208;]           > E0 1C 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000025DD0070130, 16 bytes long.
 Data: <&#184;  &#208;]           > B8 1C 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000025DD006CAA0, 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 0x0000025DD00705E0, 16 bytes long.
 Data: <   &#208;]           > 90 1C 07 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000025DD0071C90, 992 bytes long.
 Data: <&#224;  &#208;]   &#160;&#202; &#208;]   > E0 05 07 D0 5D 02 00 00 A0 CA 06 D0 5D 02 00 00 
{86} normal block at 0x0000025DD006C980, 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 0x0000025DD0066670, 16 bytes long.
 Data: <&#176;&#175; &#208;]           > B0 AF 06 D0 5D 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000025DD006AFB0, 40 bytes long.
 Data: <pf &#208;]    &#201; &#208;]   > 70 66 06 D0 5D 02 00 00 80 C9 06 D0 5D 02 00 00 
{63} normal block at 0x0000025DD00660D0, 16 bytes long.
 Data: < &#234; t&#247;           > 80 EA 1B 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025DD0066620, 16 bytes long.
 Data: <@&#233; t&#247;           > 40 E9 1B 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025DD0065E50, 16 bytes long.
 Data: <&#248;W t&#247;           > F8 57 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025DD0065E00, 16 bytes long.
 Data: <&#216;W t&#247;           > D8 57 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025DD00665D0, 16 bytes long.
 Data: <P  t&#247;           > 50 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025DD0066490, 16 bytes long.
 Data: <0  t&#247;           > 30 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025DD00668F0, 16 bytes long.
 Data: <&#224;  t&#247;           > E0 02 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025DD0065EA0, 16 bytes long.
 Data: <   t&#247;           > 10 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000025DD00668A0, 16 bytes long.
 Data: <p  t&#247;           > 70 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000025DD00669E0, 16 bytes long.
 Data: < &#192; t&#247;           > 18 C0 16 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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