Task 38687246

Name test_491-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4542_0
Workunit 31628640
Created 28 Oct 2026, 6:45:37 UTC
Sent 28 Oct 2026, 6:45:42 UTC
Report deadline 2 Nov 2026, 6:45:42 UTC
Received 28 Oct 2026, 7:40:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 14 sec
CPU time 17 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.75 MB
Peak swap size 19.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:23:13 (42704): wrapper (7.9.26016): starting
08:23:13 (42704): 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
08:23:14 (42704): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:23:14 (42704): 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\9\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\9\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
08:40:43 (42704): C:/Windows/system32/cmd.exe exited; CPU time 1036.312500
08:40:43 (42704): 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: 19112055 bytes.
Dumping objects ->
{3835248} normal block at 0x0000017BBF9987F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000017BBD9E4A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000017BBD9E4540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000017BBD9E49A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000017BBD9E4930, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000017BBF944840, 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) : {3835160} normal block at 0x0000017BBD9DFEF0, 8 bytes long.
 Data: <  &#253;&#189;{   > 00 00 FD BD 7B 01 00 00 
{3833957} normal block at 0x0000017BBD9DF720, 8 bytes long.
 Data: <&#160;l &#191;{   > A0 6C 99 BF 7B 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000017BBD9E0B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017BBD9D5770, 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 0x0000017BBD9E54F0, 16 bytes long.
 Data: < P&#158;&#189;{           > 88 50 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017BBD9E5950, 16 bytes long.
 Data: <`P&#158;&#189;{           > 60 50 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017BBD9DE750, 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 0x0000017BBD9E5E50, 16 bytes long.
 Data: <8P&#158;&#189;{           > 38 50 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017BBD9E5220, 16 bytes long.
 Data: < P&#158;&#189;{           > 10 50 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017BBD9E5860, 16 bytes long.
 Data: <&#232;O&#158;&#189;{           > E8 4F 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017BBD9E5310, 16 bytes long.
 Data: <&#192;O&#158;&#189;{           > C0 4F 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017BBD9E44D0, 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 0x0000017BBD9E5D10, 16 bytes long.
 Data: <&#216;&#135; &#189;{           > D8 87 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017BBD9DEBD0, 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 0x0000017BBD9E5A90, 16 bytes long.
 Data: <&#176;&#135; &#189;{           > B0 87 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017BBD9E5360, 16 bytes long.
 Data: < &#135; &#189;{           > 88 87 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017BBD9E5770, 16 bytes long.
 Data: <`&#135; &#189;{           > 60 87 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017BBD9E5A40, 16 bytes long.
 Data: <8&#135; &#189;{           > 38 87 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017BBD9E54A0, 16 bytes long.
 Data: < &#135; &#189;{           > 10 87 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017BBD9E5540, 16 bytes long.
 Data: <&#232;&#134; &#189;{           > E8 86 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017BBD9DE570, 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 0x0000017BBD9E5F90, 16 bytes long.
 Data: <&#192;&#134; &#189;{           > C0 86 9D BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017BBD9D86C0, 320 bytes long.
 Data: < _&#158;&#189;{   p&#229; &#189;{   > 90 5F 9E BD 7B 01 00 00 70 E5 9D BD 7B 01 00 00 
{274} normal block at 0x0000017BBD9E5810, 16 bytes long.
 Data: <&#160;O&#158;&#189;{           > A0 4F 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017BBD9E5EF0, 16 bytes long.
 Data: <xO&#158;&#189;{           > 78 4F 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017BBD9DE990, 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 0x0000017BBD9E57C0, 16 bytes long.
 Data: <PO&#158;&#189;{           > 50 4F 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017BBD9DE270, 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 0x0000017BBD9E5900, 16 bytes long.
 Data: < N&#158;&#189;{           > 98 4E 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017BBD9E58B0, 16 bytes long.
 Data: <pN&#158;&#189;{           > 70 4E 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017BBD9E5E00, 16 bytes long.
 Data: <HN&#158;&#189;{           > 48 4E 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017BBD9E51D0, 16 bytes long.
 Data: < N&#158;&#189;{           > 20 4E 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017BBD9E5720, 16 bytes long.
 Data: <&#248;M&#158;&#189;{           > F8 4D 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017BBD9DF6D0, 16 bytes long.
 Data: <&#208;M&#158;&#189;{           > D0 4D 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017BBD9DF680, 16 bytes long.
 Data: <&#240;C&#158;&#189;{           > F0 43 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017BBD9E43F0, 40 bytes long.
 Data: < &#246; &#189;{   @H&#148;&#191;{   > 80 F6 9D BD 7B 01 00 00 40 48 94 BF 7B 01 00 00 
{260} normal block at 0x0000017BBD9DF630, 16 bytes long.
 Data: <&#176;M&#158;&#189;{           > B0 4D 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017BBD9DFEA0, 16 bytes long.
 Data: < M&#158;&#189;{           > 88 4D 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017BBD9DEB10, 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 0x0000017BBD9DF540, 16 bytes long.
 Data: <`M&#158;&#189;{           > 60 4D 9E BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017BBD9E4D60, 992 bytes long.
 Data: <@&#245; &#189;{    &#235; &#189;{   > 40 F5 9D BD 7B 01 00 00 10 EB 9D BD 7B 01 00 00 
{92} normal block at 0x0000017BBD9DEB70, 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 0x0000017BBD9DFF90, 16 bytes long.
 Data: <P&#238;&#156;&#189;{           > 50 EE 9C BD 7B 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000017BBD9CEE50, 40 bytes long.
 Data: < &#255; &#189;{   p&#235; &#189;{   > 90 FF 9D BD 7B 01 00 00 70 EB 9D BD 7B 01 00 00 
{69} normal block at 0x0000017BBD9DF180, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017BBD9DF0E0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017BBD9DF7C0, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017BBD9DF270, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017BBD9DF9F0, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017BBD9DF770, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017BBD9DF090, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017BBD9DF950, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017BBD9DFE00, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017BBD9DFE50, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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