Task 38678079

Name test_394-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8154_0
Workunit 31619921
Created 26 Oct 2026, 16:19:09 UTC
Sent 26 Oct 2026, 16:19:13 UTC
Report deadline 31 Oct 2026, 16:19:13 UTC
Received 26 Oct 2026, 19:18:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 15 min 44 sec
CPU time 1 hours 8 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.68 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:04:00 (6312): wrapper (7.9.26016): starting
11:04:00 (6312): 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
11:04:09 (6312): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:04:09 (6312): 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\0\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\0\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
12:18:11 (6312): C:/Windows/system32/cmd.exe exited; CPU time 4101.406250
12:18:11 (6312): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 70699439 bytes.
Dumping objects ->
{3835449} normal block at 0x000002486C23B4A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x000002486A5037A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000002486A503730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x000002486A5039D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x000002486A503650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x000002486C1DDD30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x000002486A55D940, 140 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) : {3835360} normal block at 0x000002486A4FF8D0, 8 bytes long.
 Data: <  &#149;jH   > 00 00 95 6A 48 02 00 00 
{3834646} normal block at 0x000002486A55DE20, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000002486A4FF560, 8 bytes long.
 Data: < &#165;#lH   > 20 A5 23 6C 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002486A506310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002486A4F5E30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002486A504CC0, 16 bytes long.
 Data: <xAPjH           > 78 41 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002486A504C20, 16 bytes long.
 Data: <PAPjH           > 50 41 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002486A4FE6C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002486A505210, 16 bytes long.
 Data: <(APjH           > 28 41 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002486A5049A0, 16 bytes long.
 Data: < APjH           > 00 41 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002486A505120, 16 bytes long.
 Data: <&#216;@PjH           > D8 40 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002486A504950, 16 bytes long.
 Data: <&#176;@PjH           > B0 40 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002486A5033B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002486A504450, 16 bytes long.
 Data: <&#200;&#180;NjH           > C8 B4 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002486A4FE420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002486A504E50, 16 bytes long.
 Data: <&#160;&#180;NjH           > A0 B4 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002486A5048B0, 16 bytes long.
 Data: <x&#180;NjH           > 78 B4 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002486A505080, 16 bytes long.
 Data: <P&#180;NjH           > 50 B4 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002486A504FE0, 16 bytes long.
 Data: <(&#180;NjH           > 28 B4 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002486A504BD0, 16 bytes long.
 Data: < &#180;NjH           > 00 B4 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002486A5043B0, 16 bytes long.
 Data: <&#216;&#179;NjH           > D8 B3 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002486A4FE840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002486A504C70, 16 bytes long.
 Data: <&#176;&#179;NjH           > B0 B3 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002486A4EB3B0, 320 bytes long.
 Data: <pLPjH   @&#232;OjH   > 70 4C 50 6A 48 02 00 00 40 E8 4F 6A 48 02 00 00 
{272} normal block at 0x000002486A504F40, 16 bytes long.
 Data: < @PjH           > 90 40 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002486A504770, 16 bytes long.
 Data: <h@PjH           > 68 40 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002486A4FEA20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002486A504630, 16 bytes long.
 Data: <@@PjH           > 40 40 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002486A4FEC60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002486A504D10, 16 bytes long.
 Data: < ?PjH           > 88 3F 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002486A5050D0, 16 bytes long.
 Data: <`?PjH           > 60 3F 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002486A504360, 16 bytes long.
 Data: <8?PjH           > 38 3F 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002486A4FF150, 16 bytes long.
 Data: < ?PjH           > 10 3F 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002486A4FF100, 16 bytes long.
 Data: <&#232;>PjH           > E8 3E 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002486A4FF290, 16 bytes long.
 Data: <&#192;>PjH           > C0 3E 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002486A4FF060, 16 bytes long.
 Data: <&#240;8PjH           > F0 38 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002486A5038F0, 40 bytes long.
 Data: <`&#240;OjH   0&#221; lH   > 60 F0 4F 6A 48 02 00 00 30 DD 1D 6C 48 02 00 00 
{258} normal block at 0x000002486A4FF010, 16 bytes long.
 Data: <&#160;>PjH           > A0 3E 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002486A4FFCE0, 16 bytes long.
 Data: <x>PjH           > 78 3E 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002486A4FE960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002486A4FFC90, 16 bytes long.
 Data: <P>PjH           > 50 3E 50 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002486A503E50, 992 bytes long.
 Data: < &#252;OjH   `&#233;OjH   > 90 FC 4F 6A 48 02 00 00 60 E9 4F 6A 48 02 00 00 
{90} normal block at 0x000002486A4FEF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002486A4FF650, 16 bytes long.
 Data: <p&#213;NjH           > 70 D5 4E 6A 48 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002486A4ED570, 40 bytes long.
 Data: <P&#246;OjH    &#239;OjH   > 50 F6 4F 6A 48 02 00 00 00 EF 4F 6A 48 02 00 00 
{67} normal block at 0x000002486A4FF920, 16 bytes long.
 Data: < &#234;&#215;&#183;&#246;           > 80 EA D7 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002486A4FF2E0, 16 bytes long.
 Data: <@&#233;&#215;&#183;&#246;           > 40 E9 D7 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002486A4FF830, 16 bytes long.
 Data: <&#248;W&#212;&#183;&#246;           > F8 57 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002486A4FF790, 16 bytes long.
 Data: <&#216;W&#212;&#183;&#246;           > D8 57 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002486A4FF600, 16 bytes long.
 Data: <P &#212;&#183;&#246;           > 50 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002486A4FFC40, 16 bytes long.
 Data: <0 &#212;&#183;&#246;           > 30 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002486A4FF7E0, 16 bytes long.
 Data: <&#224; &#212;&#183;&#246;           > E0 02 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002486A4FF740, 16 bytes long.
 Data: <  &#212;&#183;&#246;           > 10 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002486A4FF6F0, 16 bytes long.
 Data: <p &#212;&#183;&#246;           > 70 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002486A4FF420, 16 bytes long.
 Data: < &#192;&#210;&#183;&#246;           > 18 C0 D2 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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