Task 38665571

Name test_59-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4036_1
Workunit 31607354
Created 25 Oct 2026, 1:13:16 UTC
Sent 25 Oct 2026, 1:25:24 UTC
Report deadline 30 Oct 2026, 1:25:24 UTC
Received 25 Oct 2026, 4:56:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647178
Run time 3 hours 26 min 14 sec
CPU time 3 hours 25 min 32 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 36,826.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 765.14 MB
Peak swap size 13.03 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:28:36 (43048): wrapper (7.9.26016): starting
01:28:36 (43048): 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
01:28:37 (43048): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:28:37 (43048): 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\31\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\31\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
04:55:47 (43048): C:/Windows/system32/cmd.exe exited; CPU time 12332.875000
04:55:47 (43048): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 473520349 bytes.
Dumping objects ->
{3835691} normal block at 0x000001886AEE7D00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835680} normal block at 0x000001886AEE7750, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835669} normal block at 0x000001886AEE70C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835658} normal block at 0x000001886AEE7C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835647} normal block at 0x000001886AEE7600, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835616} normal block at 0x000001886CB80BD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835605} normal block at 0x000001886CD71C20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835602} normal block at 0x000001886AEE22A0, 8 bytes long.
 Data: <  Ck    > 00 00 43 6B 88 01 00 00 
{3834795} normal block at 0x000001886CD71A10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834037} normal block at 0x000001886AEE2110, 8 bytes long.
 Data: <&#240; &#241;j    > F0 01 F1 6A 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {350} normal block at 0x000001886AED77B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{335} normal block at 0x000001886AEE98A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{334} normal block at 0x000001886AEE27F0, 16 bytes long.
 Data: < &#161;&#238;j            > 18 A1 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{333} normal block at 0x000001886AEE27A0, 16 bytes long.
 Data: <&#240;&#160;&#238;j            > F0 A0 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x000001886AEDF5C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{331} normal block at 0x000001886AEE23E0, 16 bytes long.
 Data: <&#200;&#160;&#238;j            > C8 A0 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{330} normal block at 0x000001886AEE2D40, 16 bytes long.
 Data: <&#160;&#160;&#238;j            > A0 A0 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x000001886AEE2390, 16 bytes long.
 Data: <x&#160;&#238;j            > 78 A0 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x000001886AEE22F0, 16 bytes long.
 Data: <P&#160;&#238;j            > 50 A0 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x000001886AEE74B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{326} normal block at 0x000001886AEE2750, 16 bytes long.
 Data: <&#232;&#170;&#236;j            > E8 AA EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{325} normal block at 0x000001886AEDF9E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{324} normal block at 0x000001886AEE2FC0, 16 bytes long.
 Data: <&#192;&#170;&#236;j            > C0 AA EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{322} normal block at 0x000001886AEE2700, 16 bytes long.
 Data: < &#170;&#236;j            > 98 AA EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x000001886AEE2C00, 16 bytes long.
 Data: <p&#170;&#236;j            > 70 AA EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x000001886AEE25C0, 16 bytes long.
 Data: <H&#170;&#236;j            > 48 AA EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x000001886AEE21B0, 16 bytes long.
 Data: < &#170;&#236;j            > 20 AA EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x000001886AEE2570, 16 bytes long.
 Data: <&#248;&#169;&#236;j            > F8 A9 EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x000001886AEDFC80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{316} normal block at 0x000001886AEE2CF0, 16 bytes long.
 Data: <&#208;&#169;&#236;j            > D0 A9 EC 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{315} normal block at 0x000001886AECA9D0, 320 bytes long.
 Data: <&#240;,&#238;j     &#252;&#237;j    > F0 2C EE 6A 88 01 00 00 80 FC ED 6A 88 01 00 00 
{314} normal block at 0x000001886AEE24D0, 16 bytes long.
 Data: <0&#160;&#238;j            > 30 A0 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{313} normal block at 0x000001886AEE26B0, 16 bytes long.
 Data: < &#160;&#238;j            > 08 A0 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x000001886AEDFE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{311} normal block at 0x000001886AEE2430, 16 bytes long.
 Data: <&#224;&#159;&#238;j            > E0 9F EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000001886AEDF620, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{309} normal block at 0x000001886AEE2520, 16 bytes long.
 Data: <(&#159;&#238;j            > 28 9F EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001886AEE2480, 16 bytes long.
 Data: < &#159;&#238;j            > 00 9F EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001886AEE3010, 16 bytes long.
 Data: <&#216;&#158;&#238;j            > D8 9E EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001886AEE2F70, 16 bytes long.
 Data: <&#176;&#158;&#238;j            > B0 9E EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001886AEE2200, 16 bytes long.
 Data: < &#158;&#238;j            > 88 9E EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001886AEE2840, 16 bytes long.
 Data: <`&#158;&#238;j            > 60 9E EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001886AEE2BB0, 16 bytes long.
 Data: < y&#238;j            > 10 79 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001886AEE7910, 40 bytes long.
 Data: <&#176;+&#238;j    &#208; &#184;l    > B0 2B EE 6A 88 01 00 00 D0 0B B8 6C 88 01 00 00 
{300} normal block at 0x000001886AEE2980, 16 bytes long.
 Data: <@&#158;&#238;j            > 40 9E EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001886AEE28E0, 16 bytes long.
 Data: < &#158;&#238;j            > 18 9E EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001886AEDF560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{297} normal block at 0x000001886AEE2E80, 16 bytes long.
 Data: <&#240; &#238;j            > F0 9D EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001886AEE9DF0, 992 bytes long.
 Data: < .&#238;j    `&#245;&#237;j    > 80 2E EE 6A 88 01 00 00 60 F5 ED 6A 88 01 00 00 
{132} normal block at 0x000001886AEDFCE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{131} normal block at 0x000001886AEE3060, 16 bytes long.
 Data: <&#224;W&#238;j            > E0 57 EE 6A 88 01 00 00 00 00 00 00 00 00 00 00 
{130} normal block at 0x000001886AEE57E0, 40 bytes long.
 Data: <`0&#238;j    &#224;&#252;&#237;j    > 60 30 EE 6A 88 01 00 00 E0 FC ED 6A 88 01 00 00 
{109} normal block at 0x000001886AEE2610, 16 bytes long.
 Data: < &#234;s&#199;&#246;           > 80 EA 73 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{108} normal block at 0x000001886AED0440, 16 bytes long.
 Data: <@&#233;s&#199;&#246;           > 40 E9 73 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x000001886AED0350, 16 bytes long.
 Data: <&#248;Wp&#199;&#246;           > F8 57 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001886AED03F0, 16 bytes long.
 Data: <&#216;Wp&#199;&#246;           > D8 57 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001886AED02B0, 16 bytes long.
 Data: <P p&#199;&#246;           > 50 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001886AECFBD0, 16 bytes long.
 Data: <0 p&#199;&#246;           > 30 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x000001886AECFA90, 16 bytes long.
 Data: <&#224; p&#199;&#246;           > E0 02 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x000001886AED06C0, 16 bytes long.
 Data: <  p&#199;&#246;           > 10 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x000001886AED0260, 16 bytes long.
 Data: <p p&#199;&#246;           > 70 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001886AED00D0, 16 bytes long.
 Data: < &#192;n&#199;&#246;           > 18 C0 6E C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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