Task 38681887

Name test_974-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8588_0
Workunit 31623531
Created 27 Oct 2026, 5:44:53 UTC
Sent 27 Oct 2026, 5:44:59 UTC
Report deadline 1 Nov 2026, 5:44:59 UTC
Received 27 Oct 2026, 8:52:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645421
Run time 2 hours 33 min 32 sec
CPU time 2 hours 28 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,390.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.71 MB
Peak swap size 5.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:18:07 (13956): wrapper (7.9.26016): starting
23:18:07 (13956): 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
23:18:09 (13956): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:18:09 (13956): 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\12\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\12\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
01:50:22 (13956): C:/Windows/system32/cmd.exe exited; CPU time 8880.359375
01:50:22 (13956): 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: 161646459 bytes.
Dumping objects ->
{3835203} normal block at 0x0000021AFB8DCBE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000021AF9BD44D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000021AF9BD4460, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x0000021AF9BD43F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000021AF9BD4310, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x0000021AFB92AE30, 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) : {3835115} normal block at 0x0000021AF9BCFD30, 8 bytes long.
 Data: <   &#250;    > 00 00 1B FA 1A 02 00 00 
{3833963} normal block at 0x0000021AF9BCFBF0, 8 bytes long.
 Data: < &#230;&#202;&#249;    > 20 E6 CA F9 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021AF9BD0070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021AF9BBF710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000021AF9BD5390, 16 bytes long.
 Data: < Q&#189;&#249;            > 08 51 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021AF9BD53E0, 16 bytes long.
 Data: <&#224;P&#189;&#249;            > E0 50 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021AF9BCECB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000021AF9BD5F20, 16 bytes long.
 Data: <&#184;P&#189;&#249;            > B8 50 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021AF9BD5CA0, 16 bytes long.
 Data: < P&#189;&#249;            > 90 50 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021AF9BD5BB0, 16 bytes long.
 Data: <hP&#189;&#249;            > 68 50 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021AF9BD56B0, 16 bytes long.
 Data: <@P&#189;&#249;            > 40 50 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021AF9BD4230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000021AF9BD5A20, 16 bytes long.
 Data: <  &#188;&#249;            > 98 01 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021AF9BCE110, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000021AF9BD60B0, 16 bytes long.
 Data: <p &#188;&#249;            > 70 01 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021AF9BD5660, 16 bytes long.
 Data: <H &#188;&#249;            > 48 01 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021AF9BD5DE0, 16 bytes long.
 Data: <  &#188;&#249;            > 20 01 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021AF9BD61A0, 16 bytes long.
 Data: <&#248; &#188;&#249;            > F8 00 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021AF9BD6150, 16 bytes long.
 Data: <&#208; &#188;&#249;            > D0 00 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021AF9BD5ED0, 16 bytes long.
 Data: <&#168; &#188;&#249;            > A8 00 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021AF9BCE650, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021AF9BD59D0, 16 bytes long.
 Data: <  &#188;&#249;            > 80 00 BC F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021AF9BC0080, 320 bytes long.
 Data: <&#208;Y&#189;&#249;    P&#230;&#188;&#249;    > D0 59 BD F9 1A 02 00 00 50 E6 BC F9 1A 02 00 00 
{277} normal block at 0x0000021AF9BD5980, 16 bytes long.
 Data: < P&#189;&#249;            > 20 50 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021AF9BD5E80, 16 bytes long.
 Data: <&#248;O&#189;&#249;            > F8 4F BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021AF9BCED70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000021AF9BD5C50, 16 bytes long.
 Data: <&#208;O&#189;&#249;            > D0 4F BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021AF9BCEA10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000021AF9BD5610, 16 bytes long.
 Data: < O&#189;&#249;            > 18 4F BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021AF9BD5520, 16 bytes long.
 Data: <&#240;N&#189;&#249;            > F0 4E BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021AF9BD5930, 16 bytes long.
 Data: <&#200;N&#189;&#249;            > C8 4E BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021AF9BD52A0, 16 bytes long.
 Data: <&#160;N&#189;&#249;            > A0 4E BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021AF9BD6060, 16 bytes long.
 Data: <xN&#189;&#249;            > 78 4E BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021AF9BCF6A0, 16 bytes long.
 Data: <PN&#189;&#249;            > 50 4E BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021AF9BCF650, 16 bytes long.
 Data: <&#192;A&#189;&#249;            > C0 41 BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021AF9BD41C0, 40 bytes long.
 Data: <P&#246;&#188;&#249;    0&#174;&#146;&#251;    > 50 F6 BC F9 1A 02 00 00 30 AE 92 FB 1A 02 00 00 
{263} normal block at 0x0000021AF9BCF600, 16 bytes long.
 Data: <0N&#189;&#249;            > 30 4E BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021AF9BCF5B0, 16 bytes long.
 Data: < N&#189;&#249;            > 08 4E BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021AF9BCE830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000021AF9BCF3D0, 16 bytes long.
 Data: <&#224;M&#189;&#249;            > E0 4D BD F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021AF9BD4DE0, 992 bytes long.
 Data: <&#208;&#243;&#188;&#249;    0&#232;&#188;&#249;    > D0 F3 BC F9 1A 02 00 00 30 E8 BC F9 1A 02 00 00 
{95} normal block at 0x0000021AF9BCEBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000021AF9BCFF10, 16 bytes long.
 Data: <p&#227;&#187;&#249;            > 70 E3 BB F9 1A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021AF9BBE370, 40 bytes long.
 Data: < &#255;&#188;&#249;    &#240;&#235;&#188;&#249;    > 10 FF BC F9 1A 02 00 00 F0 EB BC F9 1A 02 00 00 
{72} normal block at 0x0000021AF9BCFB50, 16 bytes long.
 Data: < &#234; t&#247;           > 80 EA 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021AF9BCFC40, 16 bytes long.
 Data: <@&#233; t&#247;           > 40 E9 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021AF9BCFF60, 16 bytes long.
 Data: <&#248;W t&#247;           > F8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021AF9BCF240, 16 bytes long.
 Data: <&#216;W t&#247;           > D8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021AF9BCF1A0, 16 bytes long.
 Data: <P  t&#247;           > 50 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021AF9BCFEC0, 16 bytes long.
 Data: <0  t&#247;           > 30 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021AF9BCF6F0, 16 bytes long.
 Data: <&#224;  t&#247;           > E0 02 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021AF9BCFDD0, 16 bytes long.
 Data: <   t&#247;           > 10 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021AF9BCF1F0, 16 bytes long.
 Data: <p  t&#247;           > 70 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021AF9BCFCE0, 16 bytes long.
 Data: < &#192; t&#247;           > 18 C0 0D 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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