Task 38686131

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8529_0
Workunit 31627572
Created 28 Oct 2026, 0:50:29 UTC
Sent 28 Oct 2026, 0:50:40 UTC
Report deadline 2 Nov 2026, 0:50:40 UTC
Received 28 Oct 2026, 1:39:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 47 min 40 sec
CPU time 47 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.42 MB
Peak swap size 12.99 GB
Peak disk usage 4.13 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:51:54 (12520): wrapper (7.9.26016): starting
17:51:54 (12520): 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
17:51:55 (12520): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:55 (12520): 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
18:38:33 (12520): C:/Windows/system32/cmd.exe exited; CPU time 2838.953125
18:38:33 (12520): 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: 31440089 bytes.
Dumping objects ->
{3835314} normal block at 0x0000021DF56E4C40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x0000021DF56E4BD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x0000021DF56E4B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x0000021DF56E49A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x0000021DF56E4A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x0000021DF757AD80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000021DF758EDE0, 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) : {3835225} normal block at 0x0000021DF56DF380, 8 bytes long.
 Data: <  &#207;&#245;    > 00 00 CF F5 1D 02 00 00 
{3834574} normal block at 0x0000021DF758EF40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000021DF56DF1F0, 8 bytes long.
 Data: < &#170;p&#245;    > 80 AA 70 F5 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021DF56E13F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021DF56D6100, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000021DF56E56D0, 16 bytes long.
 Data: <8gn&#245;            > 38 67 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021DF56E5720, 16 bytes long.
 Data: < gn&#245;            > 10 67 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021DF56E05A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000021DF56E5AE0, 16 bytes long.
 Data: <&#232;fn&#245;            > E8 66 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021DF56E6080, 16 bytes long.
 Data: <&#192;fn&#245;            > C0 66 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021DF56E5DB0, 16 bytes long.
 Data: < fn&#245;            > 98 66 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021DF56E5900, 16 bytes long.
 Data: <pfn&#245;            > 70 66 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021DF56E4700, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000021DF56E5D10, 16 bytes long.
 Data: <  m&#245;            > 18 90 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021DF56E0180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000021DF56E5C70, 16 bytes long.
 Data: <&#240; m&#245;            > F0 8F 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021DF56E5A90, 16 bytes long.
 Data: <&#200; m&#245;            > C8 8F 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021DF56E5D60, 16 bytes long.
 Data: <&#160; m&#245;            > A0 8F 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021DF56E57C0, 16 bytes long.
 Data: <x m&#245;            > 78 8F 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021DF56E5FE0, 16 bytes long.
 Data: <P m&#245;            > 50 8F 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021DF56E58B0, 16 bytes long.
 Data: <( m&#245;            > 28 8F 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021DF56DFA60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000021DF56E62B0, 16 bytes long.
 Data: <  m&#245;            > 00 8F 6D F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021DF56D8F00, 320 bytes long.
 Data: <&#176;bn&#245;    `&#250;m&#245;    > B0 62 6E F5 1D 02 00 00 60 FA 6D F5 1D 02 00 00 
{274} normal block at 0x0000021DF56E5770, 16 bytes long.
 Data: <Pfn&#245;            > 50 66 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021DF56E59F0, 16 bytes long.
 Data: <(fn&#245;            > 28 66 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021DF56DFD60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000021DF56E5EF0, 16 bytes long.
 Data: < fn&#245;            > 00 66 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021DF56DFF40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000021DF56E5C20, 16 bytes long.
 Data: <Hen&#245;            > 48 65 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021DF56E5A40, 16 bytes long.
 Data: < en&#245;            > 20 65 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021DF56E5EA0, 16 bytes long.
 Data: <&#248;dn&#245;            > F8 64 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021DF56E5680, 16 bytes long.
 Data: <&#208;dn&#245;            > D0 64 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021DF56E5BD0, 16 bytes long.
 Data: <&#168;dn&#245;            > A8 64 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021DF56E5950, 16 bytes long.
 Data: < dn&#245;            > 80 64 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021DF56E5F90, 16 bytes long.
 Data: < Jn&#245;            > 10 4A 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021DF56E4A10, 40 bytes long.
 Data: < _n&#245;     &#173;W&#247;    > 90 5F 6E F5 1D 02 00 00 80 AD 57 F7 1D 02 00 00 
{260} normal block at 0x0000021DF56E5B80, 16 bytes long.
 Data: <`dn&#245;            > 60 64 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021DF56E6210, 16 bytes long.
 Data: <8dn&#245;            > 38 64 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021DF56DFCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000021DF56E5810, 16 bytes long.
 Data: < dn&#245;            > 10 64 6E F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021DF56E6410, 992 bytes long.
 Data: < Xn&#245;    &#160;&#252;m&#245;    > 10 58 6E F5 1D 02 00 00 A0 FC 6D F5 1D 02 00 00 
{92} normal block at 0x0000021DF56E0300, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000021DF56DED40, 16 bytes long.
 Data: <p&#239;l&#245;            > 70 EF 6C F5 1D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021DF56CEF70, 40 bytes long.
 Data: <@&#237;m&#245;      n&#245;    > 40 ED 6D F5 1D 02 00 00 00 03 6E F5 1D 02 00 00 
{69} normal block at 0x0000021DF56DF6A0, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021DF56DECF0, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021DF56DE930, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021DF56DF470, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021DF56DE750, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021DF56DF510, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021DF56DF420, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021DF56DE8E0, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021DF56DE890, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021DF56DF3D0, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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