Task 38676622

Name test_418-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4514_0
Workunit 31618525
Created 26 Oct 2026, 11:51:26 UTC
Sent 26 Oct 2026, 11:51:31 UTC
Report deadline 31 Oct 2026, 11:51:31 UTC
Received 26 Oct 2026, 12:27:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592498
Run time 33 min 35 sec
CPU time 26 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.72 MB
Peak swap size 8.28 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:54:25 (10600): wrapper (7.9.26016): starting
05:54:25 (10600): 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
05:54:27 (10600): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:54:27 (10600): 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
06:26:22 (10600): C:/Windows/system32/cmd.exe exited; CPU time 1607.359375
06:26:22 (10600): 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: 43519665 bytes.
Dumping objects ->
{3835193} normal block at 0x0000015C6C82EA80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000015C6C82EA10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x0000015C6C82E8C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x0000015C6C82E9A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000015C6C82EB60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x0000015C7000F260, 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) : {3835105} normal block at 0x0000015C6C82BE90, 8 bytes long.
 Data: <  &#209;l\   > 00 00 D1 6C 5C 01 00 00 
{3833947} normal block at 0x0000015C6C82BE40, 8 bytes long.
 Data: < s p\   > 80 73 06 70 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000015C6C81CCF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015C6C8168B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000015C6C82BA80, 16 bytes long.
 Data: <&#200; &#131;l\           > C8 07 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015C6C82BA30, 16 bytes long.
 Data: <&#160; &#131;l\           > A0 07 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015C6C82AF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000015C6C82C930, 16 bytes long.
 Data: <x &#131;l\           > 78 07 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015C6C82C8E0, 16 bytes long.
 Data: <P &#131;l\           > 50 07 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015C6C82C3E0, 16 bytes long.
 Data: <( &#131;l\           > 28 07 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015C6C82C7F0, 16 bytes long.
 Data: <  &#131;l\           > 00 07 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015C6C82EE00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000015C6C82C7A0, 16 bytes long.
 Data: <&#216; &#131;l\           > D8 01 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015C6C82B330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000015C6C82C390, 16 bytes long.
 Data: <&#176; &#131;l\           > B0 01 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015C6C82C2F0, 16 bytes long.
 Data: <  &#131;l\           > 88 01 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015C6C82C610, 16 bytes long.
 Data: <` &#131;l\           > 60 01 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015C6C82B9E0, 16 bytes long.
 Data: <8 &#131;l\           > 38 01 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015C6C82C5C0, 16 bytes long.
 Data: <  &#131;l\           > 10 01 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015C6C82C110, 16 bytes long.
 Data: <&#232; &#131;l\           > E8 00 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015C6C82B270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000015C6C82BD00, 16 bytes long.
 Data: <&#192; &#131;l\           > C0 00 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015C6C8300C0, 320 bytes long.
 Data: < &#189;&#130;l\   p&#178;&#130;l\   > 00 BD 82 6C 5C 01 00 00 70 B2 82 6C 5C 01 00 00 
{269} normal block at 0x0000015C6C82C570, 16 bytes long.
 Data: <&#224; &#131;l\           > E0 06 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015C6C82C070, 16 bytes long.
 Data: <&#184; &#131;l\           > B8 06 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015C6C82AC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000015C6C82BB70, 16 bytes long.
 Data: <  &#131;l\           > 90 06 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015C6C82B210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000015C6C82C340, 16 bytes long.
 Data: <&#216; &#131;l\           > D8 05 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015C6C82C840, 16 bytes long.
 Data: <&#176; &#131;l\           > B0 05 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015C6C82C4D0, 16 bytes long.
 Data: <  &#131;l\           > 88 05 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015C6C82BCB0, 16 bytes long.
 Data: <` &#131;l\           > 60 05 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015C6C82C2A0, 16 bytes long.
 Data: <8 &#131;l\           > 38 05 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015C6C82C200, 16 bytes long.
 Data: <  &#131;l\           > 10 05 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015C6C82BF30, 16 bytes long.
 Data: <&#176;&#236;&#130;l\           > B0 EC 82 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015C6C82ECB0, 40 bytes long.
 Data: <0&#191;&#130;l\   `&#242; p\   > 30 BF 82 6C 5C 01 00 00 60 F2 00 70 5C 01 00 00 
{255} normal block at 0x0000015C6C82C1B0, 16 bytes long.
 Data: <&#240; &#131;l\           > F0 04 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015C6C82BC60, 16 bytes long.
 Data: <&#200; &#131;l\           > C8 04 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015C6C82B090, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000015C6C82C0C0, 16 bytes long.
 Data: <&#160; &#131;l\           > A0 04 83 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000015C6C8304A0, 992 bytes long.
 Data: <&#192;&#192;&#130;l\    &#176;&#130;l\   > C0 C0 82 6C 5C 01 00 00 90 B0 82 6C 5C 01 00 00 
{87} normal block at 0x0000015C6C82AC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000015C6C82BFD0, 16 bytes long.
 Data: <@&#236;&#130;l\           > 40 EC 82 6C 5C 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000015C6C82EC40, 40 bytes long.
 Data: <&#208;&#191;&#130;l\    &#172;&#130;l\   > D0 BF 82 6C 5C 01 00 00 10 AC 82 6C 5C 01 00 00 
{64} normal block at 0x0000015C6C82C480, 16 bytes long.
 Data: < &#234;\#&#247;           > 80 EA 5C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015C6C82C430, 16 bytes long.
 Data: <@&#233;\#&#247;           > 40 E9 5C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015C6C82BF80, 16 bytes long.
 Data: <&#248;WY#&#247;           > F8 57 59 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015C6C81FC10, 16 bytes long.
 Data: <&#216;WY#&#247;           > D8 57 59 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015C6C8205C0, 16 bytes long.
 Data: <P Y#&#247;           > 50 04 59 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015C6C81FBC0, 16 bytes long.
 Data: <0 Y#&#247;           > 30 04 59 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015C6C820570, 16 bytes long.
 Data: <&#224; Y#&#247;           > E0 02 59 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015C6C820520, 16 bytes long.
 Data: <  Y#&#247;           > 10 04 59 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015C6C820980, 16 bytes long.
 Data: <p Y#&#247;           > 70 04 59 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000015C6C820480, 16 bytes long.
 Data: < &#192;W#&#247;           > 18 C0 57 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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