Task 38672481

Name test_236-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2740_0
Workunit 31614619
Created 25 Oct 2026, 23:32:16 UTC
Sent 25 Oct 2026, 23:32:21 UTC
Report deadline 30 Oct 2026, 23:32:21 UTC
Received 26 Oct 2026, 0:27:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641545
Run time 27 min 29 sec
CPU time 27 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,562.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.88 MB
Peak swap size 5.41 GB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:49:35 (63080): wrapper (7.9.26016): starting
23:49:35 (63080): 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
23:49:36 (63080): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:49:36 (63080): 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:\bonic2\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 'E:\bonic2\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
00:19:06 (63080): C:/Windows/system32/cmd.exe exited; CPU time 1649.750000
00:19:06 (63080): 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: 37104673 bytes.
Dumping objects ->
{3835412} normal block at 0x00000219967F8BE0, 48 bytes long.
 Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835401} normal block at 0x0000021998405850, 32 bytes long.
 Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835390} normal block at 0x0000021998406570, 32 bytes long.
 Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C 
{3835379} normal block at 0x0000021998405670, 32 bytes long.
 Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835368} normal block at 0x00000219984053D0, 32 bytes long.
 Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32 
{3835337} normal block at 0x00000219967F8E10, 48 bytes long.
 Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
..\api\boinc_api.cpp(309) : {3835324} normal block at 0x00000219967CBA40, 8 bytes long.
 Data: <  &#175;&#150;    > 00 00 AF 96 19 02 00 00 
{3833987} normal block at 0x00000219967CBB80, 8 bytes long.
 Data: < &#187;<     > 90 BB 3C 98 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000219967D0CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000219967C7B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x00000219967D52F0, 16 bytes long.
 Data: <&#200;a}&#150;            > C8 61 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000219967D4D50, 16 bytes long.
 Data: <&#160;a}&#150;            > A0 61 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000219967CDA50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x00000219967D5480, 16 bytes long.
 Data: <xa}&#150;            > 78 61 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000219967D50C0, 16 bytes long.
 Data: <Pa}&#150;            > 50 61 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000219967D4990, 16 bytes long.
 Data: <(a}&#150;            > 28 61 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000219967D48A0, 16 bytes long.
 Data: < a}&#150;            > 00 61 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000219967CE680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x00000219967D5070, 16 bytes long.
 Data: < &#162;|&#150;            > 08 A2 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000219967CD870, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x00000219967D49E0, 16 bytes long.
 Data: <&#224;&#161;|&#150;            > E0 A1 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000219967D4C10, 16 bytes long.
 Data: <&#184;&#161;|&#150;            > B8 A1 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000219967D4CB0, 16 bytes long.
 Data: < &#161;|&#150;            > 90 A1 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000219967D4A30, 16 bytes long.
 Data: <h&#161;|&#150;            > 68 A1 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000219967D4850, 16 bytes long.
 Data: <@&#161;|&#150;            > 40 A1 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000219967D4800, 16 bytes long.
 Data: < &#161;|&#150;            > 18 A1 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219967CDF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x00000219967D5660, 16 bytes long.
 Data: <&#240;&#160;|&#150;            > F0 A0 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000219967CA0F0, 320 bytes long.
 Data: <`V}&#150;     &#223;|&#150;    > 60 56 7D 96 19 02 00 00 90 DF 7C 96 19 02 00 00 
{289} normal block at 0x00000219967D4BC0, 16 bytes long.
 Data: <&#224;`}&#150;            > E0 60 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000219967D4D00, 16 bytes long.
 Data: <&#184;`}&#150;            > B8 60 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000219967CD8D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x00000219967D5750, 16 bytes long.
 Data: < `}&#150;            > 90 60 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000219967CE290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x00000219967D4AD0, 16 bytes long.
 Data: <&#216;_}&#150;            > D8 5F 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000219967D5610, 16 bytes long.
 Data: <&#176;_}&#150;            > B0 5F 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219967D4A80, 16 bytes long.
 Data: < _}&#150;            > 88 5F 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219967D4E90, 16 bytes long.
 Data: <`_}&#150;            > 60 5F 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000219967D4C60, 16 bytes long.
 Data: <8_}&#150;            > 38 5F 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000219967D51B0, 16 bytes long.
 Data: < _}&#150;            > 10 5F 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000219967D4FD0, 16 bytes long.
 Data: <&#176;&#232;|&#150;            > B0 E8 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000219967CE8B0, 40 bytes long.
 Data: <&#208;O}&#150;     &#142; &#150;    > D0 4F 7D 96 19 02 00 00 10 8E 7F 96 19 02 00 00 
{275} normal block at 0x00000219967D4B70, 16 bytes long.
 Data: <&#240;^}&#150;            > F0 5E 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000219967D5700, 16 bytes long.
 Data: <&#200;^}&#150;            > C8 5E 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000219967CDF30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x00000219967D4DF0, 16 bytes long.
 Data: <&#160;^}&#150;            > A0 5E 7D 96 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000219967D5EA0, 992 bytes long.
 Data: <&#240;M}&#150;    0&#223;|&#150;    > F0 4D 7D 96 19 02 00 00 30 DF 7C 96 19 02 00 00 
{107} normal block at 0x00000219967CDE70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x00000219967CB590, 16 bytes long.
 Data: <&#224;&#234;|&#150;            > E0 EA 7C 96 19 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000219967CEAE0, 40 bytes long.
 Data: < &#181;|&#150;    p&#222;|&#150;    > 90 B5 7C 96 19 02 00 00 70 DE 7C 96 19 02 00 00 
{84} normal block at 0x00000219967CB4F0, 16 bytes long.
 Data: < &#234;:&#228;&#247;           > 80 EA 3A E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000219967CC030, 16 bytes long.
 Data: <@&#233;:&#228;&#247;           > 40 E9 3A E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000219967CBA90, 16 bytes long.
 Data: <&#248;W7&#228;&#247;           > F8 57 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000219967CB4A0, 16 bytes long.
 Data: <&#216;W7&#228;&#247;           > D8 57 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000219967CB7C0, 16 bytes long.
 Data: <P 7&#228;&#247;           > 50 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000219967CBEA0, 16 bytes long.
 Data: <0 7&#228;&#247;           > 30 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000219967CBD10, 16 bytes long.
 Data: <&#224; 7&#228;&#247;           > E0 02 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000219967CB900, 16 bytes long.
 Data: <  7&#228;&#247;           > 10 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000219967CC3A0, 16 bytes long.
 Data: <p 7&#228;&#247;           > 70 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000219967CBE50, 16 bytes long.
 Data: < &#192;5&#228;&#247;           > 18 C0 35 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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