Task 38686144

Name test_567-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2937_0
Workunit 31627584
Created 28 Oct 2026, 0:55:46 UTC
Sent 28 Oct 2026, 0:55:48 UTC
Report deadline 2 Nov 2026, 0:55:48 UTC
Received 28 Oct 2026, 1:40:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 520656
Run time 41 min 31 sec
CPU time 36 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,454.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.23 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:57:29 (3032): wrapper (7.9.26016): starting
20:57:29 (3032): 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
20:57:31 (3032): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:57:31 (3032): 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\16\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\16\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
21:39:58 (3032): C:/Windows/system32/cmd.exe exited; CPU time 2191.453125
21:39:58 (3032): 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: 37377977 bytes.
Dumping objects ->
{3835258} normal block at 0x000002C60BEEC170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000002C60BEEC950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002C60BEEC330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000002C60A294380, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002C60A2940E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000002C60BF39750, 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) : {3835170} normal block at 0x000002C60A28DF40, 8 bytes long.
 Data: <  l &#198;   > 00 00 6C 0A C6 02 00 00 
{3833961} normal block at 0x000002C60A28DEF0, 8 bytes long.
 Data: < &#215;&#244; &#198;   > 90 D7 F4 0B C6 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002C60A2809B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002C60A27F430, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002C60A2950A0, 16 bytes long.
 Data: <XO) &#198;           > 58 4F 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C60A295E10, 16 bytes long.
 Data: <0O) &#198;           > 30 4F 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C60A290300, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002C60A295FA0, 16 bytes long.
 Data: < O) &#198;           > 08 4F 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C60A295870, 16 bytes long.
 Data: <&#224;N) &#198;           > E0 4E 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C60A295780, 16 bytes long.
 Data: <&#184;N) &#198;           > B8 4E 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C60A2955F0, 16 bytes long.
 Data: < N) &#198;           > 90 4E 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C60A2942A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002C60A295BE0, 16 bytes long.
 Data: <(&#253;' &#198;           > 28 FD 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C60A28FD60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002C60A2955A0, 16 bytes long.
 Data: < &#253;' &#198;           > 00 FD 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C60A295DC0, 16 bytes long.
 Data: <&#216;&#252;' &#198;           > D8 FC 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C60A295280, 16 bytes long.
 Data: <&#176;&#252;' &#198;           > B0 FC 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C60A295690, 16 bytes long.
 Data: < &#252;' &#198;           > 88 FC 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C60A295D70, 16 bytes long.
 Data: <`&#252;' &#198;           > 60 FC 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C60A295190, 16 bytes long.
 Data: <8&#252;' &#198;           > 38 FC 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C60A28FBE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002C60A2951E0, 16 bytes long.
 Data: < &#252;' &#198;           > 10 FC 27 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C60A27FC10, 320 bytes long.
 Data: <&#224;Q) &#198;   &#224;&#251;( &#198;   > E0 51 29 0A C6 02 00 00 E0 FB 28 0A C6 02 00 00 
{276} normal block at 0x000002C60A295820, 16 bytes long.
 Data: <pN) &#198;           > 70 4E 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C60A295A00, 16 bytes long.
 Data: <HN) &#198;           > 48 4E 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C60A28FE20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002C60A295230, 16 bytes long.
 Data: < N) &#198;           > 20 4E 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C60A28FDC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002C60A295EB0, 16 bytes long.
 Data: <hM) &#198;           > 68 4D 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C60A295140, 16 bytes long.
 Data: <@M) &#198;           > 40 4D 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C60A295410, 16 bytes long.
 Data: < M) &#198;           > 18 4D 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C60A2957D0, 16 bytes long.
 Data: <&#240;L) &#198;           > F0 4C 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C60A2958C0, 16 bytes long.
 Data: <&#200;L) &#198;           > C8 4C 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C60A28DFE0, 16 bytes long.
 Data: <&#160;L) &#198;           > A0 4C 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C60A28DBD0, 16 bytes long.
 Data: < G) &#198;           > 00 47 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C60A294700, 40 bytes long.
 Data: <&#208;&#219;( &#198;   P&#151;&#243; &#198;   > D0 DB 28 0A C6 02 00 00 50 97 F3 0B C6 02 00 00 
{262} normal block at 0x000002C60A28DA40, 16 bytes long.
 Data: < L) &#198;           > 80 4C 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C60A28E710, 16 bytes long.
 Data: <XL) &#198;           > 58 4C 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C60A290360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002C60A28E6C0, 16 bytes long.
 Data: <0L) &#198;           > 30 4C 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C60A294C30, 992 bytes long.
 Data: <&#192;&#230;( &#198;   ` ) &#198;   > C0 E6 28 0A C6 02 00 00 60 03 29 0A C6 02 00 00 
{94} normal block at 0x000002C60A28FAC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002C60A28DEA0, 16 bytes long.
 Data: <`D) &#198;           > 60 44 29 0A C6 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002C60A294460, 40 bytes long.
 Data: <&#160;&#222;( &#198;   &#192;&#250;( &#198;   > A0 DE 28 0A C6 02 00 00 C0 FA 28 0A C6 02 00 00 
{71} normal block at 0x000002C60A28DE00, 16 bytes long.
 Data: < &#234;&#239;N&#246;           > 80 EA EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C60A28E8A0, 16 bytes long.
 Data: <@&#233;&#239;N&#246;           > 40 E9 EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C60A28DCC0, 16 bytes long.
 Data: <&#248;W&#236;N&#246;           > F8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C60A28DA90, 16 bytes long.
 Data: <&#216;W&#236;N&#246;           > D8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C60A28E170, 16 bytes long.
 Data: <P &#236;N&#246;           > 50 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C60A28E3A0, 16 bytes long.
 Data: <0 &#236;N&#246;           > 30 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C60A28E530, 16 bytes long.
 Data: <&#224; &#236;N&#246;           > E0 02 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C60A28E3F0, 16 bytes long.
 Data: <  &#236;N&#246;           > 10 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C60A28DE50, 16 bytes long.
 Data: <p &#236;N&#246;           > 70 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C60A28E080, 16 bytes long.
 Data: < &#192;&#234;N&#246;           > 18 C0 EA 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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