Task 38673126

Name test_877-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6011_0
Workunit 31615228
Created 26 Oct 2026, 1:33:20 UTC
Sent 26 Oct 2026, 1:33:23 UTC
Report deadline 31 Oct 2026, 1:33:23 UTC
Received 26 Oct 2026, 4:04:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 2 min 31 sec
CPU time 1 hours 1 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.61 MB
Peak swap size 2.03 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:56:12 (8756): wrapper (7.9.26016): starting
04:56:12 (8756): 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
04:56:14 (8756): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:56:14 (8756): 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 'E:\Boinc\slots\2\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 'E:\Boinc\slots\2\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
06:02:57 (8756): C:/Windows/system32/cmd.exe exited; CPU time 3712.062500
06:02:57 (8756): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 50175560 bytes.
Dumping objects ->
{3835460} normal block at 0x0000017E8A827250, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x0000017E8CB05D70, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x0000017E8CB06130, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x0000017E8CB05FB0, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x0000017E8CB05CB0, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x0000017E8A827100, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x0000017E8C9F04D0, 85 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) : {3835371} normal block at 0x0000017E8A7F6B10, 8 bytes long.
 Data: <  u&#138;~   > 00 00 75 8A 7E 01 00 00 
{3834651} normal block at 0x0000017E8C9F0250, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000017E8A7F73D0, 8 bytes long.
 Data: < x&#181;&#140;~   > 00 78 B5 8C 7E 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000017E8A8039A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017E8A7E8CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000017E8A801B60, 16 bytes long.
 Data: < 1 &#138;~           > 08 31 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017E8A802290, 16 bytes long.
 Data: <&#224;0 &#138;~           > E0 30 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017E8A7FC7A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000017E8A801F70, 16 bytes long.
 Data: <&#184;0 &#138;~           > B8 30 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017E8A802380, 16 bytes long.
 Data: < 0 &#138;~           > 90 30 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017E8A801AC0, 16 bytes long.
 Data: <h0 &#138;~           > 68 30 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017E8A801A70, 16 bytes long.
 Data: <@0 &#138;~           > 40 30 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017E8A7FD900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000017E8A8028D0, 16 bytes long.
 Data: <H&#192;~&#138;~           > 48 C0 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017E8A7FC080, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000017E8A802880, 16 bytes long.
 Data: < &#192;~&#138;~           > 20 C0 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017E8A801F20, 16 bytes long.
 Data: <&#248;&#191;~&#138;~           > F8 BF 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017E8A801ED0, 16 bytes long.
 Data: <&#208;&#191;~&#138;~           > D0 BF 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017E8A8027E0, 16 bytes long.
 Data: <&#168;&#191;~&#138;~           > A8 BF 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017E8A802790, 16 bytes long.
 Data: < &#191;~&#138;~           > 80 BF 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017E8A802150, 16 bytes long.
 Data: <X&#191;~&#138;~           > 58 BF 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017E8A7FBB40, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000017E8A801CA0, 16 bytes long.
 Data: <0&#191;~&#138;~           > 30 BF 7E 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017E8A7EBF30, 320 bytes long.
 Data: <&#160;  &#138;~   @&#187; &#138;~   > A0 1C 80 8A 7E 01 00 00 40 BB 7F 8A 7E 01 00 00 
{270} normal block at 0x0000017E8A802650, 16 bytes long.
 Data: < 0 &#138;~           > 20 30 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017E8A802470, 16 bytes long.
 Data: <&#248;/ &#138;~           > F8 2F 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017E8A7FC200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000017E8A801C50, 16 bytes long.
 Data: <&#208;/ &#138;~           > D0 2F 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017E8A7FBA20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000017E8A802830, 16 bytes long.
 Data: < / &#138;~           > 18 2F 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017E8A802600, 16 bytes long.
 Data: <&#240;. &#138;~           > F0 2E 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017E8A802100, 16 bytes long.
 Data: <&#200;. &#138;~           > C8 2E 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017E8A802560, 16 bytes long.
 Data: <&#160;. &#138;~           > A0 2E 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017E8A801B10, 16 bytes long.
 Data: <x. &#138;~           > 78 2E 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017E8A8020B0, 16 bytes long.
 Data: <P. &#138;~           > 50 2E 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017E8A802420, 16 bytes long.
 Data: <0&#212; &#138;~           > 30 D4 7F 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017E8A7FD430, 40 bytes long.
 Data: < $ &#138;~    q&#130;&#138;~   > 20 24 80 8A 7E 01 00 00 00 71 82 8A 7E 01 00 00 
{256} normal block at 0x0000017E8A8024C0, 16 bytes long.
 Data: <0. &#138;~           > 30 2E 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017E8A802740, 16 bytes long.
 Data: < . &#138;~           > 08 2E 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017E8A7FC020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000017E8A801A20, 16 bytes long.
 Data: <&#224;- &#138;~           > E0 2D 80 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017E8A802DE0, 992 bytes long.
 Data: <   &#138;~    &#192; &#138;~   > 20 1A 80 8A 7E 01 00 00 20 C0 7F 8A 7E 01 00 00 
{88} normal block at 0x0000017E8A7FC1A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000017E8A7F7330, 16 bytes long.
 Data: <0&#219; &#138;~           > 30 DB 7F 8A 7E 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000017E8A7FDB30, 40 bytes long.
 Data: <0s &#138;~   &#160;&#193; &#138;~   > 30 73 7F 8A 7E 01 00 00 A0 C1 7F 8A 7E 01 00 00 
{65} normal block at 0x0000017E8A7F70B0, 16 bytes long.
 Data: < &#234;=|&#247;           > 80 EA 3D 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017E8A7F7A10, 16 bytes long.
 Data: <@&#233;=|&#247;           > 40 E9 3D 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017E8A7F72E0, 16 bytes long.
 Data: <&#248;W:|&#247;           > F8 57 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017E8A7F6F20, 16 bytes long.
 Data: <&#216;W:|&#247;           > D8 57 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017E8A7F7510, 16 bytes long.
 Data: <P :|&#247;           > 50 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017E8A7F7290, 16 bytes long.
 Data: <0 :|&#247;           > 30 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017E8A7F7740, 16 bytes long.
 Data: <&#224; :|&#247;           > E0 02 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017E8A7F7150, 16 bytes long.
 Data: <  :|&#247;           > 10 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017E8A7F7560, 16 bytes long.
 Data: <p :|&#247;           > 70 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017E8A7F6E80, 16 bytes long.
 Data: < &#192;8|&#247;           > 18 C0 38 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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