Task 38680492

Name test_935-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7201_0
Workunit 31622211
Created 27 Oct 2026, 0:10:47 UTC
Sent 27 Oct 2026, 0:10:53 UTC
Report deadline 1 Nov 2026, 0:10:53 UTC
Received 27 Oct 2026, 0:42:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 24 min 2 sec
CPU time 17 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.91 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:18:23 (12560): wrapper (7.9.26016): starting
01:18:23 (12560): 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
01:18:24 (12560): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:18:24 (12560): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
01:41:54 (12560): C:/Windows/system32/cmd.exe exited; CPU time 1072.984375
01:41:54 (12560): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26191287 bytes.
Dumping objects ->
{3835289} normal block at 0x0000011E4523A0F0, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x0000011E4523A9B0, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x0000011E45215170, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x0000011E45215100, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x0000011E45215090, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x0000011E46F37C30, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x0000011E46F4EAD0, 102 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) : {3835200} normal block at 0x0000011E4520D9E0, 8 bytes long.
 Data: <  cE    > 00 00 63 45 1E 01 00 00 
{3834573} normal block at 0x0000011E46F4E970, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000011E4520D800, 8 bytes long.
 Data: <P_&#249;F    > 50 5F F9 46 1E 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000011E452116E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000011E452062C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000011E45215990, 16 bytes long.
 Data: <xl!E            > 78 6C 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000011E452162A0, 16 bytes long.
 Data: <Pl!E            > 50 6C 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000011E4520FA30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000011E45216430, 16 bytes long.
 Data: <(l!E            > 28 6C 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000011E45215CB0, 16 bytes long.
 Data: < l!E            > 00 6C 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000011E452163E0, 16 bytes long.
 Data: <&#216;k!E            > D8 6B 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000011E45215DA0, 16 bytes long.
 Data: <&#176;k!E            > B0 6B 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000011E45215250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000011E45215B70, 16 bytes long.
 Data: < &#147; E            > 88 93 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000011E4520FDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000011E452168E0, 16 bytes long.
 Data: <`&#147; E            > 60 93 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000011E45216660, 16 bytes long.
 Data: <8&#147; E            > 38 93 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011E45215F30, 16 bytes long.
 Data: < &#147; E            > 10 93 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000011E45216610, 16 bytes long.
 Data: <&#232;&#146; E            > E8 92 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011E452160C0, 16 bytes long.
 Data: <&#192;&#146; E            > C0 92 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000011E45216070, 16 bytes long.
 Data: < &#146; E            > 98 92 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000011E4520F370, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000011E45215C10, 16 bytes long.
 Data: <p&#146; E            > 70 92 20 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000011E45209270, 320 bytes long.
 Data: < \!E    p&#243; E    > 10 5C 21 45 1E 01 00 00 70 F3 20 45 1E 01 00 00 
{278} normal block at 0x0000011E45215A30, 16 bytes long.
 Data: < k!E            > 90 6B 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000011E45216480, 16 bytes long.
 Data: <hk!E            > 68 6B 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000011E4520FC10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000011E45216390, 16 bytes long.
 Data: <@k!E            > 40 6B 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000011E4520F610, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000011E45215EE0, 16 bytes long.
 Data: < j!E            > 88 6A 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000011E45215BC0, 16 bytes long.
 Data: <`j!E            > 60 6A 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000011E45215C60, 16 bytes long.
 Data: <8j!E            > 38 6A 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000011E452164D0, 16 bytes long.
 Data: < j!E            > 10 6A 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000011E45216840, 16 bytes long.
 Data: <&#232;i!E            > E8 69 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000011E452165C0, 16 bytes long.
 Data: <&#192;i!E            > C0 69 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000011E45216020, 16 bytes long.
 Data: <&#224;Q!E            > E0 51 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000011E452151E0, 40 bytes long.
 Data: < `!E    0|&#243;F    > 20 60 21 45 1E 01 00 00 30 7C F3 46 1E 01 00 00 
{264} normal block at 0x0000011E45215D00, 16 bytes long.
 Data: <&#160;i!E            > A0 69 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000011E45215F80, 16 bytes long.
 Data: <xi!E            > 78 69 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000011E4520F8B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000011E45215B20, 16 bytes long.
 Data: <Pi!E            > 50 69 21 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000011E45216950, 992 bytes long.
 Data: < [!E    &#176;&#248; E    > 20 5B 21 45 1E 01 00 00 B0 F8 20 45 1E 01 00 00 
{96} normal block at 0x0000011E4520F6D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000011E4520E110, 16 bytes long.
 Data: <P&#227; E            > 50 E3 1F 45 1E 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000011E451FE350, 40 bytes long.
 Data: < &#225; E    &#208;&#246; E    > 10 E1 20 45 1E 01 00 00 D0 F6 20 45 1E 01 00 00 
{73} normal block at 0x0000011E4520E3E0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000011E4520D990, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000011E4520DFD0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000011E4520E390, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000011E4520DD50, 16 bytes long.
 Data: <P   &#247;           > 50 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000011E4520DEE0, 16 bytes long.
 Data: <0   &#247;           > 30 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000011E4520E340, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000011E4520D940, 16 bytes long.
 Data: <    &#247;           > 10 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000011E4520DD00, 16 bytes long.
 Data: <p   &#247;           > 70 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000011E4520D7B0, 16 bytes long.
 Data: < &#192;&#255; &#247;           > 18 C0 FF 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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