Task 38669099

Name test_795-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8987_0
Workunit 31611492
Created 25 Oct 2026, 13:38:40 UTC
Sent 25 Oct 2026, 13:38:57 UTC
Report deadline 30 Oct 2026, 13:38:57 UTC
Received 25 Oct 2026, 14:04:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643341
Run time 20 min 58 sec
CPU time 16 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.20 MB
Peak swap size 9.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:11 (23680): wrapper (7.9.26016): starting
14:44:11 (23680): 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
14:44:12 (23680): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:12 (23680): 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 'D:\BOINC\slots\16\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 'D:\BOINC\slots\16\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
15:03:47 (23680): C:/Windows/system32/cmd.exe exited; CPU time 1009.828125
15:03:47 (23680): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 23856345 bytes.
Dumping objects ->
{3835203} normal block at 0x000001DFDED95C10, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835192} normal block at 0x000001DFE0FF0B70, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x000001DFE0FF1110, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835170} normal block at 0x000001DFE0FF0BD0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835159} normal block at 0x000001DFE0FF0E10, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835128} normal block at 0x000001DFDED95BA0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x000001DFDED8D6B0, 8 bytes long.
 Data: <  &#192;&#222;&#223;   > 00 00 C0 DE DF 01 00 00 
{3833961} normal block at 0x000001DFDED8D660, 8 bytes long.
 Data: < 5 &#225;&#223;   > 00 35 00 E1 DF 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DFDED85960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DFDED8EF50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001DFDED94510, 16 bytes long.
 Data: <xY&#217;&#222;&#223;           > 78 59 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DFDED94380, 16 bytes long.
 Data: <PY&#217;&#222;&#223;           > 50 59 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DFDED8FED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001DFDED94F60, 16 bytes long.
 Data: <(Y&#217;&#222;&#223;           > 28 59 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DFDED94BF0, 16 bytes long.
 Data: < Y&#217;&#222;&#223;           > 00 59 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DFDED94330, 16 bytes long.
 Data: <&#216;X&#217;&#222;&#223;           > D8 58 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DFDED942E0, 16 bytes long.
 Data: <&#176;X&#217;&#222;&#223;           > B0 58 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DFDED95F20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001DFDED94C40, 16 bytes long.
 Data: <8&#240;&#215;&#222;&#223;           > 38 F0 D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DFDED8FE10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001DFDED94650, 16 bytes long.
 Data: < &#240;&#215;&#222;&#223;           > 10 F0 D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DFDED94830, 16 bytes long.
 Data: <&#232;&#239;&#215;&#222;&#223;           > E8 EF D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DFDED94B50, 16 bytes long.
 Data: <&#192;&#239;&#215;&#222;&#223;           > C0 EF D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DFDED947E0, 16 bytes long.
 Data: < &#239;&#215;&#222;&#223;           > 98 EF D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DFDED94790, 16 bytes long.
 Data: <p&#239;&#215;&#222;&#223;           > 70 EF D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DFDED94BA0, 16 bytes long.
 Data: <H&#239;&#215;&#222;&#223;           > 48 EF D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DFDED8F810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001DFDED945B0, 16 bytes long.
 Data: < &#239;&#215;&#222;&#223;           > 20 EF D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DFDED7EF20, 320 bytes long.
 Data: <&#176;E&#217;&#222;&#223;    &#248;&#216;&#222;&#223;   > B0 45 D9 DE DF 01 00 00 10 F8 D8 DE DF 01 00 00 
{276} normal block at 0x000001DFDED94CE0, 16 bytes long.
 Data: < X&#217;&#222;&#223;           > 90 58 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DFDED944C0, 16 bytes long.
 Data: <hX&#217;&#222;&#223;           > 68 58 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DFDED8FAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001DFDED95140, 16 bytes long.
 Data: <@X&#217;&#222;&#223;           > 40 58 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DFDED8FF90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001DFDED95000, 16 bytes long.
 Data: < W&#217;&#222;&#223;           > 88 57 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DFDED94F10, 16 bytes long.
 Data: <`W&#217;&#222;&#223;           > 60 57 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DFDED94420, 16 bytes long.
 Data: <8W&#217;&#222;&#223;           > 38 57 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DFDED94B00, 16 bytes long.
 Data: < W&#217;&#222;&#223;           > 10 57 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DFDED94470, 16 bytes long.
 Data: <&#232;V&#217;&#222;&#223;           > E8 56 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DFDED946A0, 16 bytes long.
 Data: <&#192;V&#217;&#222;&#223;           > C0 56 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DFDED94970, 16 bytes long.
 Data: <p&#227;&#216;&#222;&#223;           > 70 E3 D8 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DFDED8E370, 40 bytes long.
 Data: <pI&#217;&#222;&#223;   &#160;[&#217;&#222;&#223;   > 70 49 D9 DE DF 01 00 00 A0 5B D9 DE DF 01 00 00 
{262} normal block at 0x000001DFDED94A10, 16 bytes long.
 Data: <&#160;V&#217;&#222;&#223;           > A0 56 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DFDED949C0, 16 bytes long.
 Data: <xV&#217;&#222;&#223;           > 78 56 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DFDED8FCF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001DFDED94600, 16 bytes long.
 Data: <PV&#217;&#222;&#223;           > 50 56 D9 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DFDED95650, 992 bytes long.
 Data: < F&#217;&#222;&#223;   &#240;&#252;&#216;&#222;&#223;   > 00 46 D9 DE DF 01 00 00 F0 FC D8 DE DF 01 00 00 
{94} normal block at 0x000001DFDED90710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001DFDED8D2A0, 16 bytes long.
 Data: <&#208;&#243;&#215;&#222;&#223;           > D0 F3 D7 DE DF 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DFDED7F3D0, 40 bytes long.
 Data: <&#160;&#210;&#216;&#222;&#223;     &#217;&#222;&#223;   > A0 D2 D8 DE DF 01 00 00 10 07 D9 DE DF 01 00 00 
{71} normal block at 0x000001DFDED8D610, 16 bytes long.
 Data: < &#234;&#203;'&#247;           > 80 EA CB 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DFDED8CD00, 16 bytes long.
 Data: <@&#233;&#203;'&#247;           > 40 E9 CB 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DFDED8CDA0, 16 bytes long.
 Data: <&#248;W&#200;'&#247;           > F8 57 C8 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DFDED8CD50, 16 bytes long.
 Data: <&#216;W&#200;'&#247;           > D8 57 C8 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DFDED8C990, 16 bytes long.
 Data: <P &#200;'&#247;           > 50 04 C8 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DFDED8D250, 16 bytes long.
 Data: <0 &#200;'&#247;           > 30 04 C8 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DFDED8D520, 16 bytes long.
 Data: <&#224; &#200;'&#247;           > E0 02 C8 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DFDED8C940, 16 bytes long.
 Data: <  &#200;'&#247;           > 10 04 C8 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DFDED8D5C0, 16 bytes long.
 Data: <p &#200;'&#247;           > 70 04 C8 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DFDED8D4D0, 16 bytes long.
 Data: < &#192;&#198;'&#247;           > 18 C0 C6 27 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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