Task 38685044

Name test_727-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1308_0
Workunit 31626532
Created 27 Oct 2026, 19:07:27 UTC
Sent 27 Oct 2026, 19:07:33 UTC
Report deadline 1 Nov 2026, 19:07:33 UTC
Received 27 Oct 2026, 20:00:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652497
Run time 21 min 3 sec
CPU time 15 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 57,419.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.61 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:39:27 (30900): wrapper (7.9.26016): starting
14:39:27 (30900): 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
14:39:28 (30900): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:39:28 (30900): 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
14:59:41 (30900): C:/Windows/system32/cmd.exe exited; CPU time 952.078125
14:59:41 (30900): 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: 22665301 bytes.
Dumping objects ->
{3835193} normal block at 0x000001E64A49D9D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001E64A49D3B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x000001E64A49CFC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x000001E64A49CE00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001E64A49D810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x000001E64C29F130, 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) : {3835105} normal block at 0x000001E64A48CCC0, 8 bytes long.
 Data: <  &#169;J&#230;   > 00 00 A9 4A E6 01 00 00 
{3833951} normal block at 0x000001E64A48CC20, 8 bytes long.
 Data: <@&#234; L&#230;   > 40 EA 1A 4C E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001E64A48DF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E64A48A390, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001E64A49DDB0, 16 bytes long.
 Data: < &#238;IJ&#230;           > 18 EE 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E64A49DCC0, 16 bytes long.
 Data: <&#240;&#237;IJ&#230;           > F0 ED 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E64A49A190, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001E64A49E210, 16 bytes long.
 Data: <&#200;&#237;IJ&#230;           > C8 ED 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E64A49DD60, 16 bytes long.
 Data: <&#160;&#237;IJ&#230;           > A0 ED 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E64A49DC70, 16 bytes long.
 Data: <x&#237;IJ&#230;           > 78 ED 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E64A49DC20, 16 bytes long.
 Data: <P&#237;IJ&#230;           > 50 ED 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E64A499CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001E64A49E8A0, 16 bytes long.
 Data: <8&#186;HJ&#230;           > 38 BA 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E64A49A2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001E64A49DBD0, 16 bytes long.
 Data: < &#186;HJ&#230;           > 10 BA 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E64A49E850, 16 bytes long.
 Data: <&#232;&#185;HJ&#230;           > E8 B9 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E64A49E760, 16 bytes long.
 Data: <&#192;&#185;HJ&#230;           > C0 B9 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E64A49DB80, 16 bytes long.
 Data: < &#185;HJ&#230;           > 98 B9 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E64A49E490, 16 bytes long.
 Data: <p&#185;HJ&#230;           > 70 B9 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E64A49EA80, 16 bytes long.
 Data: <H&#185;HJ&#230;           > 48 B9 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E64A49AAF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001E64A49E3A0, 16 bytes long.
 Data: < &#185;HJ&#230;           > 20 B9 48 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E64A48B920, 320 bytes long.
 Data: <&#160;&#227;IJ&#230;   &#240;&#170;IJ&#230;   > A0 E3 49 4A E6 01 00 00 F0 AA 49 4A E6 01 00 00 
{271} normal block at 0x000001E64A49E9E0, 16 bytes long.
 Data: <0&#237;IJ&#230;           > 30 ED 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E64A49DF40, 16 bytes long.
 Data: < &#237;IJ&#230;           > 08 ED 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E64A49A490, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001E64A49E170, 16 bytes long.
 Data: <&#224;&#236;IJ&#230;           > E0 EC 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E64A49A910, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001E64A49E300, 16 bytes long.
 Data: <(&#236;IJ&#230;           > 28 EC 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E64A49E940, 16 bytes long.
 Data: < &#236;IJ&#230;           > 00 EC 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E64A49E0D0, 16 bytes long.
 Data: <&#216;&#235;IJ&#230;           > D8 EB 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E64A49DEF0, 16 bytes long.
 Data: <&#176;&#235;IJ&#230;           > B0 EB 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E64A49E800, 16 bytes long.
 Data: < &#235;IJ&#230;           > 88 EB 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E64A49E7B0, 16 bytes long.
 Data: <`&#235;IJ&#230;           > 60 EB 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E64A49E8F0, 16 bytes long.
 Data: <&#240;&#155;IJ&#230;           > F0 9B 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E64A499BF0, 40 bytes long.
 Data: <&#240;&#232;IJ&#230;   0&#241;)L&#230;   > F0 E8 49 4A E6 01 00 00 30 F1 29 4C E6 01 00 00 
{257} normal block at 0x000001E64A49DE50, 16 bytes long.
 Data: <@&#235;IJ&#230;           > 40 EB 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E64A49DD10, 16 bytes long.
 Data: < &#235;IJ&#230;           > 18 EB 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E64A49A130, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001E64A49E710, 16 bytes long.
 Data: <&#240;&#234;IJ&#230;           > F0 EA 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E64A49EAF0, 992 bytes long.
 Data: < &#231;IJ&#230;   0&#161;IJ&#230;   > 10 E7 49 4A E6 01 00 00 30 A1 49 4A E6 01 00 00 
{89} normal block at 0x000001E64A49A6D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001E64A48C360, 16 bytes long.
 Data: < &#158;IJ&#230;           > 20 9E 49 4A E6 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001E64A499E20, 40 bytes long.
 Data: <`&#195;HJ&#230;   &#208;&#166;IJ&#230;   > 60 C3 48 4A E6 01 00 00 D0 A6 49 4A E6 01 00 00 
{66} normal block at 0x000001E64A48C450, 16 bytes long.
 Data: < &#234;/&#232;&#246;           > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E64A48CBD0, 16 bytes long.
 Data: <@&#233;/&#232;&#246;           > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E64A48C3B0, 16 bytes long.
 Data: <&#248;W,&#232;&#246;           > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E64A48CD60, 16 bytes long.
 Data: <&#216;W,&#232;&#246;           > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E64A48D030, 16 bytes long.
 Data: <P ,&#232;&#246;           > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E64A48C770, 16 bytes long.
 Data: <0 ,&#232;&#246;           > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E64A48D120, 16 bytes long.
 Data: <&#224; ,&#232;&#246;           > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E64A48D260, 16 bytes long.
 Data: <  ,&#232;&#246;           > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E64A48CB80, 16 bytes long.
 Data: <p ,&#232;&#246;           > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E64A48C720, 16 bytes long.
 Data: < &#192;*&#232;&#246;           > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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