Task 38689356

Name test_606-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3887_0
Workunit 31630620
Created 28 Oct 2026, 20:23:53 UTC
Sent 28 Oct 2026, 20:23:55 UTC
Report deadline 2 Nov 2026, 20:23:55 UTC
Received 29 Oct 2026, 0:05:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 1 min 23 sec
CPU time 57 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.94 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:05:40 (43840): wrapper (7.9.26016): starting
19:05:40 (43840): 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
19:05:42 (43840): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:05:42 (43840): 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\11\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\11\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
20:05:17 (43840): C:/Windows/system32/cmd.exe exited; CPU time 3465.812500
20:05:17 (43840): 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: 74006929 bytes.
Dumping objects ->
{3835525} normal block at 0x0000012B12A07110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000012B12A07B20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x0000012B12A073B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x0000012B12A06F50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000012B12A07CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x0000012B1296D490, 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) : {3835437} normal block at 0x0000012B10BBD910, 8 bytes long.
 Data: <    +   > 00 00 11 11 2B 01 00 00 
{3833969} normal block at 0x0000012B10BBD230, 8 bytes long.
 Data: < G&#188; +   > 10 47 BC 10 2B 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000012B10BC0EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000012B10BB5B20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000012B10BC4DF0, 16 bytes long.
 Data: <&#248;^&#188; +           > F8 5E BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000012B10BC4D50, 16 bytes long.
 Data: <&#208;^&#188; +           > D0 5E BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000012B10BBF260, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000012B10BC5700, 16 bytes long.
 Data: <&#168;^&#188; +           > A8 5E BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012B10BC4F80, 16 bytes long.
 Data: < ^&#188; +           > 80 5E BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012B10BC4D00, 16 bytes long.
 Data: <X^&#188; +           > 58 5E BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012B10BC5020, 16 bytes long.
 Data: <0^&#188; +           > 30 5E BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012B10BC3610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000012B10BC4DA0, 16 bytes long.
 Data: <H&#184;&#186; +           > 48 B8 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012B10BBEF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000012B10BC53E0, 16 bytes long.
 Data: < &#184;&#186; +           > 20 B8 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012B10BC5610, 16 bytes long.
 Data: <&#248;&#183;&#186; +           > F8 B7 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012B10BC5A70, 16 bytes long.
 Data: <&#208;&#183;&#186; +           > D0 B7 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012B10BC5B10, 16 bytes long.
 Data: <&#168;&#183;&#186; +           > A8 B7 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012B10BC4CB0, 16 bytes long.
 Data: < &#183;&#186; +           > 80 B7 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012B10BC4C60, 16 bytes long.
 Data: <X&#183;&#186; +           > 58 B7 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012B10BBF200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000012B10BC5A20, 16 bytes long.
 Data: <0&#183;&#186; +           > 30 B7 BA 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012B10BAB730, 320 bytes long.
 Data: < Z&#188; +    &#242;&#187; +   > 20 5A BC 10 2B 01 00 00 00 F2 BB 10 2B 01 00 00 
{280} normal block at 0x0000012B10BC57A0, 16 bytes long.
 Data: < ^&#188; +           > 10 5E BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012B10BC4F30, 16 bytes long.
 Data: <&#232;]&#188; +           > E8 5D BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012B10BBEEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000012B10BC50C0, 16 bytes long.
 Data: <&#192;]&#188; +           > C0 5D BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012B10BBE480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000012B10BC5390, 16 bytes long.
 Data: < ]&#188; +           > 08 5D BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012B10BC55C0, 16 bytes long.
 Data: <&#224;\&#188; +           > E0 5C BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012B10BC59D0, 16 bytes long.
 Data: <&#184;\&#188; +           > B8 5C BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012B10BC5980, 16 bytes long.
 Data: < \&#188; +           > 90 5C BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012B10BC4C10, 16 bytes long.
 Data: <h\&#188; +           > 68 5C BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012B10BC58E0, 16 bytes long.
 Data: <@\&#188; +           > 40 5C BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012B10BC4E90, 16 bytes long.
 Data: <p3&#188; +           > 70 33 BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012B10BC3370, 40 bytes long.
 Data: < N&#188; +    &#212;&#150; +   > 90 4E BC 10 2B 01 00 00 90 D4 96 12 2B 01 00 00 
{266} normal block at 0x0000012B10BC5160, 16 bytes long.
 Data: < \&#188; +           > 20 5C BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012B10BC5890, 16 bytes long.
 Data: <&#248;[&#188; +           > F8 5B BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012B10BBE7E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000012B10BC5840, 16 bytes long.
 Data: <&#208;[&#188; +           > D0 5B BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012B10BC5BD0, 992 bytes long.
 Data: <@X&#188; +   &#224;&#231;&#187; +   > 40 58 BC 10 2B 01 00 00 E0 E7 BB 10 2B 01 00 00 
{98} normal block at 0x0000012B10BBEC60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000012B10BBCFB0, 16 bytes long.
 Data: <P4&#188; +           > 50 34 BC 10 2B 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000012B10BC3450, 40 bytes long.
 Data: <&#176;&#207;&#187; +   `&#236;&#187; +   > B0 CF BB 10 2B 01 00 00 60 EC BB 10 2B 01 00 00 
{75} normal block at 0x0000012B10BBCF10, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000012B10BBD640, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000012B10BBCC90, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012B10BBCBA0, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012B10BBD8C0, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012B10BBD410, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012B10BBD780, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012B10BBCE20, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012B10BBD000, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012B10BBC9C0, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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