Task 38686609

Name test_888-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3442_0
Workunit 31628035
Created 28 Oct 2026, 3:28:49 UTC
Sent 28 Oct 2026, 3:28:56 UTC
Report deadline 2 Nov 2026, 3:28:56 UTC
Received 28 Oct 2026, 4:27:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650754
Run time 56 min 35 sec
CPU time 56 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.14 MB
Peak swap size 9.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:30:25 (3836): wrapper (7.9.26016): starting
03:30:25 (3836): 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
03:30:26 (3836): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:30:26 (3836): 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:\BOINCdata\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:\BOINCdata\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
04:26:11 (3836): C:/Windows/system32/cmd.exe exited; CPU time 3395.359375
04:26:11 (3836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 37601401 bytes.
Dumping objects ->
{3835233} normal block at 0x00000157C57B6B10, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835222} normal block at 0x00000157C74E5C30, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835211} normal block at 0x00000157C74E53F0, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835200} normal block at 0x00000157C74E5030, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835189} normal block at 0x00000157C74E5570, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835158} normal block at 0x00000157C57B6CD0, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835147} normal block at 0x00000157C5789D60, 200 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) : {3835144} normal block at 0x00000157C5787E90, 8 bytes long.
 Data: <  s&#197;W   > 00 00 73 C5 57 01 00 00 
{3834547} normal block at 0x00000157C578A1A0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000157C5788070, 8 bytes long.
 Data: <PdS&#199;W   > 50 64 53 C7 57 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000157C5792470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000157C57933B0, 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 0x00000157C5794090, 16 bytes long.
 Data: <HIy&#197;W           > 48 49 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000157C5793E60, 16 bytes long.
 Data: < Iy&#197;W           > 20 49 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000157C578F100, 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 0x00000157C5794040, 16 bytes long.
 Data: <&#248;Hy&#197;W           > F8 48 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000157C5794180, 16 bytes long.
 Data: <&#208;Hy&#197;W           > D0 48 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000157C57943B0, 16 bytes long.
 Data: <&#168;Hy&#197;W           > A8 48 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000157C5793500, 16 bytes long.
 Data: < Hy&#197;W           > 80 48 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000157C578C8E0, 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 0x00000157C57939B0, 16 bytes long.
 Data: <H3y&#197;W           > 48 33 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000157C578E620, 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 0x00000157C5793730, 16 bytes long.
 Data: < 3y&#197;W           > 20 33 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000157C57936E0, 16 bytes long.
 Data: <&#248;2y&#197;W           > F8 32 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000157C5793BE0, 16 bytes long.
 Data: <&#208;2y&#197;W           > D0 32 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000157C5793B40, 16 bytes long.
 Data: <&#168;2y&#197;W           > A8 32 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000157C57940E0, 16 bytes long.
 Data: < 2y&#197;W           > 80 32 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000157C5793910, 16 bytes long.
 Data: <X2y&#197;W           > 58 32 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000157C578ECE0, 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 0x00000157C5793FF0, 16 bytes long.
 Data: <02y&#197;W           > 30 32 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000157C5793230, 320 bytes long.
 Data: <&#240;?y&#197;W   &#224;&#236;x&#197;W   > F0 3F 79 C5 57 01 00 00 E0 EC 78 C5 57 01 00 00 
{269} normal block at 0x00000157C5793E10, 16 bytes long.
 Data: <`Hy&#197;W           > 60 48 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000157C5794310, 16 bytes long.
 Data: <8Hy&#197;W           > 38 48 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000157C578EDA0, 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 0x00000157C5793FA0, 16 bytes long.
 Data: < Hy&#197;W           > 10 48 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000157C578E5C0, 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 0x00000157C5794360, 16 bytes long.
 Data: <XGy&#197;W           > 58 47 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000157C5794220, 16 bytes long.
 Data: <0Gy&#197;W           > 30 47 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000157C57942C0, 16 bytes long.
 Data: < Gy&#197;W           > 08 47 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000157C5793EB0, 16 bytes long.
 Data: <&#224;Fy&#197;W           > E0 46 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000157C57938C0, 16 bytes long.
 Data: <&#184;Fy&#197;W           > B8 46 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000157C5793F50, 16 bytes long.
 Data: < Fy&#197;W           > 90 46 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000157C57937D0, 16 bytes long.
 Data: <&#192;&#201;x&#197;W           > C0 C9 78 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000157C578C9C0, 40 bytes long.
 Data: <&#208;7y&#197;W   &#208;l{&#197;W   > D0 37 79 C5 57 01 00 00 D0 6C 7B C5 57 01 00 00 
{255} normal block at 0x00000157C5793F00, 16 bytes long.
 Data: <pFy&#197;W           > 70 46 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000157C5793640, 16 bytes long.
 Data: <HFy&#197;W           > 48 46 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000157C578E500, 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 0x00000157C5794400, 16 bytes long.
 Data: < Fy&#197;W           > 20 46 79 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000157C5794620, 992 bytes long.
 Data: < Dy&#197;W    &#229;x&#197;W   > 00 44 79 C5 57 01 00 00 00 E5 78 C5 57 01 00 00 
{87} normal block at 0x00000157C578E440, 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 0x00000157C5787FD0, 16 bytes long.
 Data: <&#160;&#195;x&#197;W           > A0 C3 78 C5 57 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000157C578C3A0, 40 bytes long.
 Data: <&#208; x&#197;W   @&#228;x&#197;W   > D0 7F 78 C5 57 01 00 00 40 E4 78 C5 57 01 00 00 
{64} normal block at 0x00000157C5787800, 16 bytes long.
 Data: < &#234;#&#135;&#247;           > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000157C57878F0, 16 bytes long.
 Data: <@&#233;#&#135;&#247;           > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000157C57872B0, 16 bytes long.
 Data: <&#248;W &#135;&#247;           > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000157C5787AD0, 16 bytes long.
 Data: <&#216;W &#135;&#247;           > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000157C5787670, 16 bytes long.
 Data: <P  &#135;&#247;           > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000157C5787B70, 16 bytes long.
 Data: <0  &#135;&#247;           > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000157C57876C0, 16 bytes long.
 Data: <&#224;  &#135;&#247;           > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000157C5787F30, 16 bytes long.
 Data: <   &#135;&#247;           > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000157C57875D0, 16 bytes long.
 Data: <p  &#135;&#247;           > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000157C5787D00, 16 bytes long.
 Data: < &#192; &#135;&#247;           > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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