Task 38662438

Name test_323-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND7825_0
Workunit 31605698
Created 24 Oct 2026, 19:11:46 UTC
Sent 24 Oct 2026, 19:12:05 UTC
Report deadline 29 Oct 2026, 19:12:05 UTC
Received 24 Oct 2026, 23:08:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648105
Run time 43 min 54 sec
CPU time 39 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.72 MB
Peak swap size 2.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
15:39:42 (1264): wrapper (7.9.26016): starting
15:39:42 (1264): 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
15:39:59 (1264): Library/usr/bin/tar.exe exited; CPU time 0.156250
15:39:59 (1264): 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\1\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\1\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
16:23:58 (1264): C:/Windows/system32/cmd.exe exited; CPU time 2384.609375
16:23:58 (1264): 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: 63729327 bytes.
Dumping objects ->
{3835277} normal block at 0x00000254D32ED1D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000254D32ED0F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x00000254D32ED080, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x00000254D32ED4E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000254D32ECC20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x00000254D4E9ED10, 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) : {3835189} normal block at 0x00000254D32BCFB0, 8 bytes long.
 Data: <  v&#211;T   > 00 00 76 D3 54 02 00 00 
{3833987} normal block at 0x00000254D32BCDD0, 8 bytes long.
 Data: < &#202; &#213;T   > 00 CA 06 D5 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000254D32C35A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000254D32B71B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x00000254D32C80B0, 16 bytes long.
 Data: <(&#148;,&#211;T           > 28 94 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000254D32C8A10, 16 bytes long.
 Data: < &#148;,&#211;T           > 00 94 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000254D32C1230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x00000254D32C88D0, 16 bytes long.
 Data: <&#216;&#147;,&#211;T           > D8 93 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000254D32C7F20, 16 bytes long.
 Data: <&#176;&#147;,&#211;T           > B0 93 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000254D32C8C90, 16 bytes long.
 Data: < &#147;,&#211;T           > 88 93 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000254D32C8240, 16 bytes long.
 Data: <`&#147;,&#211;T           > 60 93 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000254D32C4850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x00000254D32C8010, 16 bytes long.
 Data: <  +&#211;T           > 88 81 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000254D32C11D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x00000254D32C8B50, 16 bytes long.
 Data: <` +&#211;T           > 60 81 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000254D32C8740, 16 bytes long.
 Data: <8 +&#211;T           > 38 81 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000254D32C8470, 16 bytes long.
 Data: <  +&#211;T           > 10 81 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000254D32C89C0, 16 bytes long.
 Data: <&#232; +&#211;T           > E8 80 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000254D32C7ED0, 16 bytes long.
 Data: <&#192; +&#211;T           > C0 80 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000254D32C8BF0, 16 bytes long.
 Data: <  +&#211;T           > 98 80 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000254D32C1530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x00000254D32C8B00, 16 bytes long.
 Data: <p +&#211;T           > 70 80 2B D3 54 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000254D32B8070, 320 bytes long.
 Data: < &#139;,&#211;T   0 ,&#211;T   > 00 8B 2C D3 54 02 00 00 30 15 2C D3 54 02 00 00 
{289} normal block at 0x00000254D32C7F70, 16 bytes long.
 Data: <@&#147;,&#211;T           > 40 93 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000254D32C8150, 16 bytes long.
 Data: < &#147;,&#211;T           > 18 93 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000254D32C1170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x00000254D32C7D90, 16 bytes long.
 Data: <&#240;&#146;,&#211;T           > F0 92 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000254D32C1B30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x00000254D32C81F0, 16 bytes long.
 Data: <8&#146;,&#211;T           > 38 92 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000254D32C7DE0, 16 bytes long.
 Data: < &#146;,&#211;T           > 10 92 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000254D32C8AB0, 16 bytes long.
 Data: <&#232;&#145;,&#211;T           > E8 91 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000254D32C81A0, 16 bytes long.
 Data: <&#192;&#145;,&#211;T           > C0 91 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000254D32C7FC0, 16 bytes long.
 Data: < &#145;,&#211;T           > 98 91 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000254D32C8060, 16 bytes long.
 Data: <p&#145;,&#211;T           > 70 91 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000254D32C7E80, 16 bytes long.
 Data: <pG,&#211;T           > 70 47 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000254D32C4770, 40 bytes long.
 Data: < ~,&#211;T    &#237;&#233;&#212;T   > 80 7E 2C D3 54 02 00 00 10 ED E9 D4 54 02 00 00 
{275} normal block at 0x00000254D32C87E0, 16 bytes long.
 Data: <P&#145;,&#211;T           > 50 91 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000254D32C8100, 16 bytes long.
 Data: <(&#145;,&#211;T           > 28 91 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000254D32C1AD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x00000254D32C7E30, 16 bytes long.
 Data: < &#145;,&#211;T           > 00 91 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000254D32C9100, 992 bytes long.
 Data: <0~,&#211;T   &#208; ,&#211;T   > 30 7E 2C D3 54 02 00 00 D0 1A 2C D3 54 02 00 00 
{107} normal block at 0x00000254D32C1E90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x00000254D32BC8D0, 16 bytes long.
 Data: <0I,&#211;T           > 30 49 2C D3 54 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000254D32C4930, 40 bytes long.
 Data: <&#208;&#200;+&#211;T     ,&#211;T   > D0 C8 2B D3 54 02 00 00 90 1E 2C D3 54 02 00 00 
{84} normal block at 0x00000254D32BC830, 16 bytes long.
 Data: < &#234;&#145;k&#247;           > 80 EA 91 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000254D32BD0A0, 16 bytes long.
 Data: <@&#233;&#145;k&#247;           > 40 E9 91 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000254D32BCAB0, 16 bytes long.
 Data: <&#248;W&#142;k&#247;           > F8 57 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000254D32BC560, 16 bytes long.
 Data: <&#216;W&#142;k&#247;           > D8 57 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000254D32BD370, 16 bytes long.
 Data: <P &#142;k&#247;           > 50 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000254D32BCF60, 16 bytes long.
 Data: <0 &#142;k&#247;           > 30 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000254D32BC920, 16 bytes long.
 Data: <&#224; &#142;k&#247;           > E0 02 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000254D32BD2D0, 16 bytes long.
 Data: <  &#142;k&#247;           > 10 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000254D32BC740, 16 bytes long.
 Data: <p &#142;k&#247;           > 70 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000254D32BC470, 16 bytes long.
 Data: < &#192;&#140;k&#247;           > 18 C0 8C 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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