Task 38683341

Name test_665-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8929_0
Workunit 31624908
Created 27 Oct 2026, 11:27:09 UTC
Sent 27 Oct 2026, 11:27:13 UTC
Report deadline 1 Nov 2026, 11:27:13 UTC
Received 27 Oct 2026, 12:21:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632099
Run time 25 min 43 sec
CPU time 25 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,032.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.18 MB
Peak swap size 12.96 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:55:42 (12168): wrapper (7.9.26016): starting
12:55:42 (12168): 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
12:55:43 (12168): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:55:43 (12168): 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\9\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\9\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
13:20:37 (12168): C:/Windows/system32/cmd.exe exited; CPU time 1533.328125
13:20:37 (12168): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 20509311 bytes.
Dumping objects ->
{3835270} normal block at 0x000001EAA1276640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001EAA1276410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001EAA1275A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001EAA1275990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001EAA1275D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001EAA2EBC200, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001EAA2E418B0, 160 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) : {3835181} normal block at 0x000001EAA1246F40, 8 bytes long.
 Data: <  &#200;&#162;&#234;   > 00 00 C8 A2 EA 01 00 00 
{3834569} normal block at 0x000001EAA2E41D10, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001EAA1246540, 8 bytes long.
 Data: <`&#190;*&#161;&#234;   > 60 BE 2A A1 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001EAA1250FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EAA1235D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001EAA1252060, 16 bytes long.
 Data: < 6%&#161;&#234;           > 08 36 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EAA1252A60, 16 bytes long.
 Data: <&#224;5%&#161;&#234;           > E0 35 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EAA124CA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001EAA1251F70, 16 bytes long.
 Data: <&#184;5%&#161;&#234;           > B8 35 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EAA1252420, 16 bytes long.
 Data: < 5%&#161;&#234;           > 90 35 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EAA1252A10, 16 bytes long.
 Data: <h5%&#161;&#234;           > 68 35 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EAA12521A0, 16 bytes long.
 Data: <@5%&#161;&#234;           > 40 35 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EAA124EA30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001EAA12528D0, 16 bytes long.
 Data: < ]#&#161;&#234;           > 18 5D 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EAA124C960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001EAA12529C0, 16 bytes long.
 Data: <&#240;\#&#161;&#234;           > F0 5C 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EAA1252D80, 16 bytes long.
 Data: <&#200;\#&#161;&#234;           > C8 5C 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EAA1252330, 16 bytes long.
 Data: <&#160;\#&#161;&#234;           > A0 5C 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EAA1252E20, 16 bytes long.
 Data: <x\#&#161;&#234;           > 78 5C 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EAA1252880, 16 bytes long.
 Data: <P\#&#161;&#234;           > 50 5C 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EAA1251FC0, 16 bytes long.
 Data: <(\#&#161;&#234;           > 28 5C 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EAA124CFC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001EAA1252830, 16 bytes long.
 Data: < \#&#161;&#234;           > 00 5C 23 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EAA1235C00, 320 bytes long.
 Data: <0(%&#161;&#234;   &#192;&#207;$&#161;&#234;   > 30 28 25 A1 EA 01 00 00 C0 CF 24 A1 EA 01 00 00 
{274} normal block at 0x000001EAA1252740, 16 bytes long.
 Data: < 5%&#161;&#234;           > 20 35 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EAA1252DD0, 16 bytes long.
 Data: <&#248;4%&#161;&#234;           > F8 34 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EAA124C8A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001EAA1252CE0, 16 bytes long.
 Data: <&#208;4%&#161;&#234;           > D0 34 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EAA124C840, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001EAA1251F20, 16 bytes long.
 Data: < 4%&#161;&#234;           > 18 34 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EAA12526F0, 16 bytes long.
 Data: <&#240;3%&#161;&#234;           > F0 33 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EAA1252150, 16 bytes long.
 Data: <&#200;3%&#161;&#234;           > C8 33 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EAA1252510, 16 bytes long.
 Data: <&#160;3%&#161;&#234;           > A0 33 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EAA1252C90, 16 bytes long.
 Data: <x3%&#161;&#234;           > 78 33 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EAA1252BA0, 16 bytes long.
 Data: <P3%&#161;&#234;           > 50 33 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EAA1252650, 16 bytes long.
 Data: <&#192;&#233;$&#161;&#234;           > C0 E9 24 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EAA124E9C0, 40 bytes long.
 Data: <P&%&#161;&#234;    &#194;&#235;&#162;&#234;   > 50 26 25 A1 EA 01 00 00 00 C2 EB A2 EA 01 00 00 
{260} normal block at 0x000001EAA12526A0, 16 bytes long.
 Data: <03%&#161;&#234;           > 30 33 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EAA12523D0, 16 bytes long.
 Data: < 3%&#161;&#234;           > 08 33 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EAA124C900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001EAA1252B00, 16 bytes long.
 Data: <&#224;2%&#161;&#234;           > E0 32 25 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EAA12532E0, 992 bytes long.
 Data: < +%&#161;&#234;    &#201;$&#161;&#234;   > 00 2B 25 A1 EA 01 00 00 00 C9 24 A1 EA 01 00 00 
{92} normal block at 0x000001EAA124CAE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001EAA12464A0, 16 bytes long.
 Data: <&#240;&#235;$&#161;&#234;           > F0 EB 24 A1 EA 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001EAA124EBF0, 40 bytes long.
 Data: <&#160;d$&#161;&#234;   &#224;&#202;$&#161;&#234;   > A0 64 24 A1 EA 01 00 00 E0 CA 24 A1 EA 01 00 00 
{69} normal block at 0x000001EAA1247080, 16 bytes long.
 Data: < &#234;&#171;&#191;&#246;           > 80 EA AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EAA1246DB0, 16 bytes long.
 Data: <@&#233;&#171;&#191;&#246;           > 40 E9 AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EAA1246EA0, 16 bytes long.
 Data: <&#248;W&#168;&#191;&#246;           > F8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EAA1246770, 16 bytes long.
 Data: <&#216;W&#168;&#191;&#246;           > D8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EAA12470D0, 16 bytes long.
 Data: <P &#168;&#191;&#246;           > 50 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EAA12464F0, 16 bytes long.
 Data: <0 &#168;&#191;&#246;           > 30 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EAA1246D10, 16 bytes long.
 Data: <&#224; &#168;&#191;&#246;           > E0 02 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EAA1246630, 16 bytes long.
 Data: <  &#168;&#191;&#246;           > 10 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EAA1246680, 16 bytes long.
 Data: <p &#168;&#191;&#246;           > 70 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EAA12469F0, 16 bytes long.
 Data: < &#192;&#166;&#191;&#246;           > 18 C0 A6 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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