Task 38646870

Name test_966-GPUGRID_TEST_ATM_1000_20261023-0-1-RND7103_0
Workunit 31591803
Created 23 Oct 2026, 16:50:17 UTC
Sent 23 Oct 2026, 18:05:46 UTC
Report deadline 28 Oct 2026, 18:05:46 UTC
Received 23 Oct 2026, 20:54:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611806
Run time 50 min 29 sec
CPU time 45 min 49 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.82 MB
Peak swap size 5.20 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:05:17 (24116): wrapper (7.9.26016): starting
15:05:17 (24116): 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
15:05:18 (24116): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:05:18 (24116): 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\2\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\2\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
15:54:28 (24116): C:/Windows/system32/cmd.exe exited; CPU time 2749.078125
15:54:28 (24116): 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: 52216393 bytes.
Dumping objects ->
{3835229} normal block at 0x00000200510CDE70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002004F5553E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002004F555300, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000002004F555290, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000002004F5551B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000002005111AF30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000002005112F3A0, 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) : {3835140} normal block at 0x000002004F54FDF0, 8 bytes long.
 Data: <  KO    > 00 00 4B 4F 00 02 00 00 
{3834541} normal block at 0x000002005112EB60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002004F54F350, 8 bytes long.
 Data: < IUO    > 00 49 55 4F 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002004F5511A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002004F546F60, 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 0x000002004F5563B0, 16 bytes long.
 Data: <xnUO            > 78 6E 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002004F556770, 16 bytes long.
 Data: <PnUO            > 50 6E 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002004F5503B0, 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 0x000002004F555CD0, 16 bytes long.
 Data: <(nUO            > 28 6E 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002004F555C80, 16 bytes long.
 Data: < nUO            > 00 6E 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002004F555E10, 16 bytes long.
 Data: <&#216;mUO            > D8 6D 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002004F5566D0, 16 bytes long.
 Data: <&#176;mUO            > B0 6D 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002004F555220, 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 0x000002004F556720, 16 bytes long.
 Data: <&#200;&#147;TO            > C8 93 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002004F550710, 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 0x000002004F5565E0, 16 bytes long.
 Data: <&#160;&#147;TO            > A0 93 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002004F556540, 16 bytes long.
 Data: <x&#147;TO            > 78 93 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002004F555BE0, 16 bytes long.
 Data: <P&#147;TO            > 50 93 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002004F556220, 16 bytes long.
 Data: <(&#147;TO            > 28 93 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002004F555C30, 16 bytes long.
 Data: < &#147;TO            > 00 93 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002004F556130, 16 bytes long.
 Data: <&#216;&#146;TO            > D8 92 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002004F550650, 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 0x000002004F555B90, 16 bytes long.
 Data: <&#176;&#146;TO            > B0 92 54 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002004F5492B0, 320 bytes long.
 Data: < [UO    P UO    > 90 5B 55 4F 00 02 00 00 50 06 55 4F 00 02 00 00 
{277} normal block at 0x000002004F556860, 16 bytes long.
 Data: < mUO            > 90 6D 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002004F556180, 16 bytes long.
 Data: <hmUO            > 68 6D 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002004F5506B0, 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 0x000002004F555FF0, 16 bytes long.
 Data: <@mUO            > 40 6D 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002004F5505F0, 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 0x000002004F556360, 16 bytes long.
 Data: < lUO            > 88 6C 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002004F555E60, 16 bytes long.
 Data: <`lUO            > 60 6C 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002004F556630, 16 bytes long.
 Data: <8lUO            > 38 6C 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002004F5560E0, 16 bytes long.
 Data: < lUO            > 10 6C 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002004F5564F0, 16 bytes long.
 Data: <&#232;kUO            > E8 6B 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002004F5569A0, 16 bytes long.
 Data: <&#192;kUO            > C0 6B 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002004F556A40, 16 bytes long.
 Data: <`PUO            > 60 50 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002004F555060, 40 bytes long.
 Data: <@jUO    0&#175; Q    > 40 6A 55 4F 00 02 00 00 30 AF 11 51 00 02 00 00 
{263} normal block at 0x000002004F556AE0, 16 bytes long.
 Data: <&#160;kUO            > A0 6B 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002004F556680, 16 bytes long.
 Data: <xkUO            > 78 6B 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002004F550EF0, 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 0x000002004F555F50, 16 bytes long.
 Data: <PkUO            > 50 6B 55 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002004F556B50, 992 bytes long.
 Data: <P_UO    &#240; UO    > 50 5F 55 4F 00 02 00 00 F0 0E 55 4F 00 02 00 00 
{95} normal block at 0x000002004F5500B0, 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 0x000002004F54F620, 16 bytes long.
 Data: <`&#223;SO            > 60 DF 53 4F 00 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002004F53DF60, 40 bytes long.
 Data: < &#246;TO    &#176; UO    > 20 F6 54 4F 00 02 00 00 B0 00 55 4F 00 02 00 00 
{72} normal block at 0x000002004F54F260, 16 bytes long.
 Data: < &#234;cX&#247;           > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002004F54F210, 16 bytes long.
 Data: <@&#233;cX&#247;           > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002004F54F3F0, 16 bytes long.
 Data: <&#248;W`X&#247;           > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002004F54FB20, 16 bytes long.
 Data: <&#216;W`X&#247;           > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002004F54FDA0, 16 bytes long.
 Data: <P `X&#247;           > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002004F54F080, 16 bytes long.
 Data: <0 `X&#247;           > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002004F54F990, 16 bytes long.
 Data: <&#224; `X&#247;           > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002004F54F030, 16 bytes long.
 Data: <  `X&#247;           > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002004F54F530, 16 bytes long.
 Data: <p `X&#247;           > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002004F54FF80, 16 bytes long.
 Data: < &#192;^X&#247;           > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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