Task 38676204

Name test_806-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8652_0
Workunit 31618132
Created 26 Oct 2026, 10:34:59 UTC
Sent 26 Oct 2026, 10:35:04 UTC
Report deadline 31 Oct 2026, 10:35:04 UTC
Received 26 Oct 2026, 11:41:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648105
Run time 39 min 55 sec
CPU time 39 min 55 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 658.73 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>
06:55:25 (12260): wrapper (7.9.26016): starting
06:55:25 (12260): 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
06:55:27 (12260): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:55:27 (12260): 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
07:41:03 (12260): C:/Windows/system32/cmd.exe exited; CPU time 2395.437500
07:41:03 (12260): 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: 64178339 bytes.
Dumping objects ->
{3835277} normal block at 0x00000159F3C4C9A0, 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 0x00000159F3C4D420, 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 0x00000159F3C4D260, 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 0x00000159F3C4D340, 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 0x00000159F3C4CD20, 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 0x00000159F588CE80, 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 0x00000159F3C1D2A0, 8 bytes long.
 Data: <  &#190;&#243;Y   > 00 00 BE F3 59 01 00 00 
{3833987} normal block at 0x00000159F3C1C3F0, 8 bytes long.
 Data: < &#213;m&#245;Y   > 00 D5 6D F5 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000159F3C23430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000159F3C16E30, 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 0x00000159F3C288E0, 16 bytes long.
 Data: <(&#149;&#194;&#243;Y           > 28 95 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000159F3C28C50, 16 bytes long.
 Data: < &#149;&#194;&#243;Y           > 00 95 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000159F3C21E00, 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 0x00000159F3C284D0, 16 bytes long.
 Data: <&#216;&#148;&#194;&#243;Y           > D8 94 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000159F3C28980, 16 bytes long.
 Data: <&#176;&#148;&#194;&#243;Y           > B0 94 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000159F3C28D90, 16 bytes long.
 Data: < &#148;&#194;&#243;Y           > 88 94 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000159F3C28930, 16 bytes long.
 Data: <`&#148;&#194;&#243;Y           > 60 94 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000159F3C249E0, 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 0x00000159F3C28340, 16 bytes long.
 Data: <&#216;&#177;&#193;&#243;Y           > D8 B1 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000159F3C21260, 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 0x00000159F3C28200, 16 bytes long.
 Data: <&#176;&#177;&#193;&#243;Y           > B0 B1 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000159F3C28700, 16 bytes long.
 Data: < &#177;&#193;&#243;Y           > 88 B1 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000159F3C287A0, 16 bytes long.
 Data: <`&#177;&#193;&#243;Y           > 60 B1 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000159F3C28C00, 16 bytes long.
 Data: <8&#177;&#193;&#243;Y           > 38 B1 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000159F3C287F0, 16 bytes long.
 Data: < &#177;&#193;&#243;Y           > 10 B1 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000159F3C280C0, 16 bytes long.
 Data: <&#232;&#176;&#193;&#243;Y           > E8 B0 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000159F3C21800, 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 0x00000159F3C28CF0, 16 bytes long.
 Data: <&#192;&#176;&#193;&#243;Y           > C0 B0 C1 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000159F3C1B0C0, 320 bytes long.
 Data: <&#240;&#140;&#194;&#243;Y     &#194;&#243;Y   > F0 8C C2 F3 59 01 00 00 00 18 C2 F3 59 01 00 00 
{289} normal block at 0x00000159F3C27F80, 16 bytes long.
 Data: <@&#148;&#194;&#243;Y           > 40 94 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000159F3C28BB0, 16 bytes long.
 Data: < &#148;&#194;&#243;Y           > 18 94 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000159F3C21620, 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 0x00000159F3C27F30, 16 bytes long.
 Data: <&#240;&#147;&#194;&#243;Y           > F0 93 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000159F3C21740, 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 0x00000159F3C27EE0, 16 bytes long.
 Data: <8&#147;&#194;&#243;Y           > 38 93 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000159F3C28D40, 16 bytes long.
 Data: < &#147;&#194;&#243;Y           > 10 93 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000159F3C27E90, 16 bytes long.
 Data: <&#232;&#146;&#194;&#243;Y           > E8 92 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000159F3C28750, 16 bytes long.
 Data: <&#192;&#146;&#194;&#243;Y           > C0 92 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000159F3C28480, 16 bytes long.
 Data: < &#146;&#194;&#243;Y           > 98 92 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000159F3C285C0, 16 bytes long.
 Data: <p&#146;&#194;&#243;Y           > 70 92 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000159F3C27E40, 16 bytes long.
 Data: <&#240;E&#194;&#243;Y           > F0 45 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000159F3C245F0, 40 bytes long.
 Data: <@~&#194;&#243;Y    &#206; &#245;Y   > 40 7E C2 F3 59 01 00 00 80 CE 88 F5 59 01 00 00 
{275} normal block at 0x00000159F3C28B60, 16 bytes long.
 Data: <P&#146;&#194;&#243;Y           > 50 92 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000159F3C28A70, 16 bytes long.
 Data: <(&#146;&#194;&#243;Y           > 28 92 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000159F3C21500, 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 0x00000159F3C28430, 16 bytes long.
 Data: < &#146;&#194;&#243;Y           > 00 92 C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000159F3C29200, 992 bytes long.
 Data: <0&#132;&#194;&#243;Y     &#194;&#243;Y   > 30 84 C2 F3 59 01 00 00 00 15 C2 F3 59 01 00 00 
{107} normal block at 0x00000159F3C21C20, 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 0x00000159F3C1C940, 16 bytes long.
 Data: <&#240;L&#194;&#243;Y           > F0 4C C2 F3 59 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000159F3C24CF0, 40 bytes long.
 Data: <@&#201;&#193;&#243;Y     &#194;&#243;Y   > 40 C9 C1 F3 59 01 00 00 20 1C C2 F3 59 01 00 00 
{84} normal block at 0x00000159F3C1CB20, 16 bytes long.
 Data: < &#234;&#178;&#191;&#246;           > 80 EA B2 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000159F3C1C9E0, 16 bytes long.
 Data: <@&#233;&#178;&#191;&#246;           > 40 E9 B2 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000159F3C1CE40, 16 bytes long.
 Data: <&#248;W&#175;&#191;&#246;           > F8 57 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000159F3C1D110, 16 bytes long.
 Data: <&#216;W&#175;&#191;&#246;           > D8 57 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000159F3C1CFD0, 16 bytes long.
 Data: <P &#175;&#191;&#246;           > 50 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000159F3C1CB70, 16 bytes long.
 Data: <0 &#175;&#191;&#246;           > 30 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000159F3C1C490, 16 bytes long.
 Data: <&#224; &#175;&#191;&#246;           > E0 02 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000159F3C1C850, 16 bytes long.
 Data: <  &#175;&#191;&#246;           > 10 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000159F3C1C8F0, 16 bytes long.
 Data: <p &#175;&#191;&#246;           > 70 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000159F3C1CF80, 16 bytes long.
 Data: < &#192;&#173;&#191;&#246;           > 18 C0 AD BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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