Task 38686399

Name test_566-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6042_0
Workunit 31627832
Created 28 Oct 2026, 2:17:10 UTC
Sent 28 Oct 2026, 2:17:14 UTC
Report deadline 2 Nov 2026, 2:17:14 UTC
Received 28 Oct 2026, 6:51:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 27 min 16 sec
CPU time 1 hours 15 min 40 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 671.68 MB
Peak swap size 5.23 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:24:27 (6724): wrapper (7.9.26016): starting
22:24:27 (6724): 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
22:24:31 (6724): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:24:31 (6724): 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\3\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\3\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
23:49:38 (6724): C:/Windows/system32/cmd.exe exited; CPU time 4540.937500
23:49:38 (6724): 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: 75443811 bytes.
Dumping objects ->
{3835221} normal block at 0x0000027F13E762B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000027F13E75FA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000027F13E76630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x0000027F13E76470, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000027F13E75D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x0000027F15A6C140, 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) : {3835133} normal block at 0x0000027F13E45DF0, 8 bytes long.
 Data: <  &#132;     > 00 00 84 15 7F 02 00 00 
{3833949} normal block at 0x0000027F13E45C60, 8 bytes long.
 Data: < P&#156;     > 20 50 9C 15 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000027F13E50090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027F13E3B320, 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 0x0000027F13E51D00, 16 bytes long.
 Data: <&#216;6&#229;             > D8 36 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027F13E51A30, 16 bytes long.
 Data: <&#176;6&#229;             > B0 36 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027F13E4B490, 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 0x0000027F13E512B0, 16 bytes long.
 Data: < 6&#229;             > 88 36 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027F13E518A0, 16 bytes long.
 Data: <`6&#229;             > 60 36 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027F13E51DF0, 16 bytes long.
 Data: <86&#229;             > 38 36 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027F13E51210, 16 bytes long.
 Data: < 6&#229;             > 10 36 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027F13E4C9B0, 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 0x0000027F13E511C0, 16 bytes long.
 Data: <H&#199;&#227;             > 48 C7 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027F13E4B250, 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 0x0000027F13E51CB0, 16 bytes long.
 Data: < &#199;&#227;             > 20 C7 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027F13E51620, 16 bytes long.
 Data: <&#248;&#198;&#227;             > F8 C6 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027F13E51530, 16 bytes long.
 Data: <&#208;&#198;&#227;             > D0 C6 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027F13E51B20, 16 bytes long.
 Data: <&#168;&#198;&#227;             > A8 C6 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027F13E50FE0, 16 bytes long.
 Data: < &#198;&#227;             > 80 C6 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027F13E51800, 16 bytes long.
 Data: <X&#198;&#227;             > 58 C6 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027F13E4ABF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000027F13E51260, 16 bytes long.
 Data: <0&#198;&#227;             > 30 C6 E3 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027F13E3C630, 320 bytes long.
 Data: <` &#229;     &#240;&#171;&#228;     > 60 12 E5 13 7F 02 00 00 F0 AB E4 13 7F 02 00 00 
{270} normal block at 0x0000027F13E51120, 16 bytes long.
 Data: <&#240;5&#229;             > F0 35 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027F13E517B0, 16 bytes long.
 Data: <&#200;5&#229;             > C8 35 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027F13E4AA70, 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 0x0000027F13E51940, 16 bytes long.
 Data: <&#160;5&#229;             > A0 35 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027F13E4B3D0, 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 0x0000027F13E51760, 16 bytes long.
 Data: <&#232;4&#229;             > E8 34 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027F13E51030, 16 bytes long.
 Data: <&#192;4&#229;             > C0 34 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027F13E513F0, 16 bytes long.
 Data: < 4&#229;             > 98 34 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027F13E519E0, 16 bytes long.
 Data: <p4&#229;             > 70 34 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027F13E51300, 16 bytes long.
 Data: <H4&#229;             > 48 34 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027F13E51EE0, 16 bytes long.
 Data: < 4&#229;             > 20 34 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027F13E518F0, 16 bytes long.
 Data: <&#208;&#200;&#228;             > D0 C8 E4 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027F13E4C8D0, 40 bytes long.
 Data: <&#240; &#229;     @&#193;&#166;     > F0 18 E5 13 7F 02 00 00 40 C1 A6 15 7F 02 00 00 
{256} normal block at 0x0000027F13E51E90, 16 bytes long.
 Data: < 4&#229;             > 00 34 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027F13E51170, 16 bytes long.
 Data: <&#216;3&#229;             > D8 33 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027F13E4AB30, 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 0x0000027F13E51F30, 16 bytes long.
 Data: <&#176;3&#229;             > B0 33 E5 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000027F13E533B0, 992 bytes long.
 Data: <0 &#229;     0&#171;&#228;     > 30 1F E5 13 7F 02 00 00 30 AB E4 13 7F 02 00 00 
{88} normal block at 0x0000027F13E4B130, 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 0x0000027F13E459E0, 16 bytes long.
 Data: <&#240;&#199;&#228;             > F0 C7 E4 13 7F 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000027F13E4C7F0, 40 bytes long.
 Data: <&#224;Y&#228;     0&#177;&#228;     > E0 59 E4 13 7F 02 00 00 30 B1 E4 13 7F 02 00 00 
{65} normal block at 0x0000027F13E46700, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027F13E462A0, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027F13E45AD0, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027F13E46250, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027F13E45F80, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027F13E461B0, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027F13E46160, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027F13E45990, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027F13E466B0, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027F13E46480, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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