Task 38674837

Name test_203-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4376_0
Workunit 31616846
Created 26 Oct 2026, 6:28:37 UTC
Sent 26 Oct 2026, 6:28:46 UTC
Report deadline 31 Oct 2026, 6:28:46 UTC
Received 26 Oct 2026, 7:07:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 37 min 17 sec
CPU time 32 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.63 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
07:29:22 (6528): wrapper (7.9.26016): starting
07:29:22 (6528): 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
07:29:24 (6528): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:29:24 (6528): 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\65\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\65\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
08:05:47 (6528): C:/Windows/system32/cmd.exe exited; CPU time 1928.781250
08:05:47 (6528): 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: 45720933 bytes.
Dumping objects ->
{3835524} normal block at 0x0000028A3ECBAE20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835513} normal block at 0x0000028A3ECBAB10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000028A3CEB5300, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835491} normal block at 0x0000028A3CEB50D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000028A3CEB5290, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835449} normal block at 0x0000028A3ECA5D30, 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) : {3835436} normal block at 0x0000028A3CEADF40, 8 bytes long.
 Data: <  &#227;<&#138;   > 00 00 E3 3C 8A 02 00 00 
{3833967} normal block at 0x0000028A3CEADAE0, 8 bytes long.
 Data: <&#160;F&#235;<&#138;   > A0 46 EB 3C 8A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000028A3CEB1520, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000028A3CEA6AE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000028A3CEB6070, 16 bytes long.
 Data: < m&#235;<&#138;           > 88 6D EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028A3CEB6840, 16 bytes long.
 Data: <`m&#235;<&#138;           > 60 6D EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028A3CEAF7F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000028A3CEB6160, 16 bytes long.
 Data: <8m&#235;<&#138;           > 38 6D EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028A3CEB67F0, 16 bytes long.
 Data: < m&#235;<&#138;           > 10 6D EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028A3CEB67A0, 16 bytes long.
 Data: <&#232;l&#235;<&#138;           > E8 6C EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028A3CEB61B0, 16 bytes long.
 Data: <&#192;l&#235;<&#138;           > C0 6C EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028A3CEB4D50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000028A3CEB5CB0, 16 bytes long.
 Data: < &#241;&#234;<&#138;           > 08 F1 EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028A3CEAF790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000028A3CEB5F80, 16 bytes long.
 Data: <&#224;&#240;&#234;<&#138;           > E0 F0 EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028A3CEB6700, 16 bytes long.
 Data: <&#184;&#240;&#234;<&#138;           > B8 F0 EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028A3CEB59E0, 16 bytes long.
 Data: < &#240;&#234;<&#138;           > 90 F0 EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028A3CEB6340, 16 bytes long.
 Data: <h&#240;&#234;<&#138;           > 68 F0 EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028A3CEB5A30, 16 bytes long.
 Data: <@&#240;&#234;<&#138;           > 40 F0 EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028A3CEB5AD0, 16 bytes long.
 Data: < &#240;&#234;<&#138;           > 18 F0 EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028A3CEAFFD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000028A3CEB65C0, 16 bytes long.
 Data: <&#240;&#239;&#234;<&#138;           > F0 EF EA 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028A3CEAEFF0, 320 bytes long.
 Data: <&#192;e&#235;<&#138;   &#208;&#255;&#234;<&#138;   > C0 65 EB 3C 8A 02 00 00 D0 FF EA 3C 8A 02 00 00 
{279} normal block at 0x0000028A3CEB6520, 16 bytes long.
 Data: <&#160;l&#235;<&#138;           > A0 6C EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028A3CEB6570, 16 bytes long.
 Data: <xl&#235;<&#138;           > 78 6C EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028A3CEAFAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000028A3CEB5C60, 16 bytes long.
 Data: <Pl&#235;<&#138;           > 50 6C EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028A3CEAF490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000028A3CEB5F30, 16 bytes long.
 Data: < k&#235;<&#138;           > 98 6B EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028A3CEB5990, 16 bytes long.
 Data: <pk&#235;<&#138;           > 70 6B EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028A3CEB64D0, 16 bytes long.
 Data: <Hk&#235;<&#138;           > 48 6B EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028A3CEB66B0, 16 bytes long.
 Data: < k&#235;<&#138;           > 20 6B EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028A3CEB6430, 16 bytes long.
 Data: <&#248;j&#235;<&#138;           > F8 6A EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028A3CEB6750, 16 bytes long.
 Data: <&#208;j&#235;<&#138;           > D0 6A EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028A3CEB63E0, 16 bytes long.
 Data: <&#240;O&#235;<&#138;           > F0 4F EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028A3CEB4FF0, 40 bytes long.
 Data: <&#224;c&#235;<&#138;   0]&#202;>&#138;   > E0 63 EB 3C 8A 02 00 00 30 5D CA 3E 8A 02 00 00 
{265} normal block at 0x0000028A3CEB6480, 16 bytes long.
 Data: <&#176;j&#235;<&#138;           > B0 6A EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028A3CEB5E90, 16 bytes long.
 Data: < j&#235;<&#138;           > 88 6A EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028A3CEAFA30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000028A3CEB5FD0, 16 bytes long.
 Data: <`j&#235;<&#138;           > 60 6A EB 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028A3CEB6A60, 992 bytes long.
 Data: <&#208;_&#235;<&#138;   0&#250;&#234;<&#138;   > D0 5F EB 3C 8A 02 00 00 30 FA EA 3C 8A 02 00 00 
{97} normal block at 0x0000028A3CEAFC70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000028A3CEADE50, 16 bytes long.
 Data: < &#232;&#233;<&#138;           > 80 E8 E9 3C 8A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000028A3CE9E880, 40 bytes long.
 Data: <P&#222;&#234;<&#138;   p&#252;&#234;<&#138;   > 50 DE EA 3C 8A 02 00 00 70 FC EA 3C 8A 02 00 00 
{74} normal block at 0x0000028A3CEAD950, 16 bytes long.
 Data: < &#234;&#135;d&#246;           > 80 EA 87 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000028A3CEADC20, 16 bytes long.
 Data: <@&#233;&#135;d&#246;           > 40 E9 87 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028A3CEAE2B0, 16 bytes long.
 Data: <&#248;W&#132;d&#246;           > F8 57 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028A3CEADA40, 16 bytes long.
 Data: <&#216;W&#132;d&#246;           > D8 57 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028A3CEAE170, 16 bytes long.
 Data: <P &#132;d&#246;           > 50 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028A3CEADEA0, 16 bytes long.
 Data: <0 &#132;d&#246;           > 30 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028A3CEAD860, 16 bytes long.
 Data: <&#224; &#132;d&#246;           > E0 02 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028A3CEADD10, 16 bytes long.
 Data: <  &#132;d&#246;           > 10 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028A3CEAE580, 16 bytes long.
 Data: <p &#132;d&#246;           > 70 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028A3CEAD810, 16 bytes long.
 Data: < &#192;&#130;d&#246;           > 18 C0 82 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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