Task 38672734

Name test_448-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7507_0
Workunit 31614856
Created 26 Oct 2026, 0:17:41 UTC
Sent 26 Oct 2026, 0:17:46 UTC
Report deadline 31 Oct 2026, 0:17:46 UTC
Received 26 Oct 2026, 1:06:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641545
Run time 27 min 55 sec
CPU time 27 min 55 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 700.08 MB
Peak swap size 5.40 GB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:28:15 (38924): wrapper (7.9.26016): starting
00:28:15 (38924): 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
00:28:16 (38924): Library/usr/bin/tar.exe exited; CPU time 0.031250
00:28:16 (38924): 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
00:58:07 (38924): C:/Windows/system32/cmd.exe exited; CPU time 1675.625000
00:58:07 (38924): 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: 37705321 bytes.
Dumping objects ->
{3835412} normal block at 0x00000235EC758440, 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 0x00000235EE3CF330, 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 0x00000235EE3CF870, 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 0x00000235EE3D08F0, 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 0x00000235EE3CF2D0, 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 0x00000235EC758A60, 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 0x00000235EC72BCE0, 8 bytes long.
 Data: <  &#176;&#236;5   > 00 00 B0 EC 35 02 00 00 
{3833987} normal block at 0x00000235EC72BE20, 8 bytes long.
 Data: <&#208;&#234;%&#238;5   > D0 EA 25 EE 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000235EC731300, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000235EC7276D0, 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 0x00000235EC735360, 16 bytes long.
 Data: <H`s&#236;5           > 48 60 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000235EC735630, 16 bytes long.
 Data: < `s&#236;5           > 20 60 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000235EC72E270, 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 0x00000235EC7358B0, 16 bytes long.
 Data: <&#248;_s&#236;5           > F8 5F 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000235EC7355E0, 16 bytes long.
 Data: <&#208;_s&#236;5           > D0 5F 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000235EC734FF0, 16 bytes long.
 Data: <&#168;_s&#236;5           > A8 5F 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000235EC734E10, 16 bytes long.
 Data: < _s&#236;5           > 80 5F 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000235EC72E9A0, 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 0x00000235EC735310, 16 bytes long.
 Data: <h&#163;r&#236;5           > 68 A3 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000235EC72D670, 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 0x00000235EC734AA0, 16 bytes long.
 Data: <@&#163;r&#236;5           > 40 A3 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000235EC734A00, 16 bytes long.
 Data: < &#163;r&#236;5           > 18 A3 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000235EC7349B0, 16 bytes long.
 Data: <&#240;&#162;r&#236;5           > F0 A2 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000235EC734FA0, 16 bytes long.
 Data: <&#200;&#162;r&#236;5           > C8 A2 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000235EC734B40, 16 bytes long.
 Data: <&#160;&#162;r&#236;5           > A0 A2 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000235EC734F50, 16 bytes long.
 Data: <x&#162;r&#236;5           > 78 A2 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000235EC72E1B0, 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 0x00000235EC734D20, 16 bytes long.
 Data: <P&#162;r&#236;5           > 50 A2 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000235EC72A250, 320 bytes long.
 Data: < Ms&#236;5   &#176;&#225;r&#236;5   > 20 4D 73 EC 35 02 00 00 B0 E1 72 EC 35 02 00 00 
{289} normal block at 0x00000235EC735180, 16 bytes long.
 Data: <`_s&#236;5           > 60 5F 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000235EC734A50, 16 bytes long.
 Data: <8_s&#236;5           > 38 5F 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000235EC72E4B0, 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 0x00000235EC734F00, 16 bytes long.
 Data: < _s&#236;5           > 10 5F 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000235EC72D970, 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 0x00000235EC734AF0, 16 bytes long.
 Data: <X^s&#236;5           > 58 5E 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000235EC734960, 16 bytes long.
 Data: <0^s&#236;5           > 30 5E 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000235EC734EB0, 16 bytes long.
 Data: < ^s&#236;5           > 08 5E 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000235EC735860, 16 bytes long.
 Data: <&#224;]s&#236;5           > E0 5D 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000235EC735090, 16 bytes long.
 Data: <&#184;]s&#236;5           > B8 5D 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000235EC734E60, 16 bytes long.
 Data: < ]s&#236;5           > 90 5D 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000235EC735270, 16 bytes long.
 Data: <@&#236;r&#236;5           > 40 EC 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000235EC72EC40, 40 bytes long.
 Data: <pRs&#236;5   `&#138;u&#236;5   > 70 52 73 EC 35 02 00 00 60 8A 75 EC 35 02 00 00 
{275} normal block at 0x00000235EC734CD0, 16 bytes long.
 Data: <p]s&#236;5           > 70 5D 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000235EC734DC0, 16 bytes long.
 Data: <H]s&#236;5           > 48 5D 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000235EC72D850, 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 0x00000235EC734BE0, 16 bytes long.
 Data: < ]s&#236;5           > 20 5D 73 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000235EC735D20, 992 bytes long.
 Data: <&#224;Ks&#236;5   P&#216;r&#236;5   > E0 4B 73 EC 35 02 00 00 50 D8 72 EC 35 02 00 00 
{107} normal block at 0x00000235EC72E510, 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 0x00000235EC72B8D0, 16 bytes long.
 Data: <`&#235;r&#236;5           > 60 EB 72 EC 35 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000235EC72EB60, 40 bytes long.
 Data: <&#208;&#184;r&#236;5    &#229;r&#236;5   > D0 B8 72 EC 35 02 00 00 10 E5 72 EC 35 02 00 00 
{84} normal block at 0x00000235EC72C550, 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 0x00000235EC72C500, 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 0x00000235EC72BD80, 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 0x00000235EC72BA60, 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 0x00000235EC72B970, 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 0x00000235EC72B830, 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 0x00000235EC72C370, 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 0x00000235EC72BC90, 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 0x00000235EC72C0F0, 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 0x00000235EC72BBA0, 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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