Task 38688801

Name test_80-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6853_2
Workunit 31630017
Created 28 Oct 2026, 16:14:25 UTC
Sent 28 Oct 2026, 16:14:30 UTC
Report deadline 2 Nov 2026, 16:14:30 UTC
Received 28 Oct 2026, 16:41:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 25 min 41 sec
CPU time 23 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.59 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:15:30 (18852): wrapper (7.9.26016): starting
16:15:30 (18852): 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
16:15:31 (18852): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:15:31 (18852): 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\17\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\17\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
16:40:22 (18852): C:/Windows/system32/cmd.exe exited; CPU time 1405.250000
16:40:22 (18852): 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: 25927897 bytes.
Dumping objects ->
{3835253} normal block at 0x0000013807F6D9A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000013806105CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000138061060C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000013806106050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000013806105B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000013807FB9E30, 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) : {3835165} normal block at 0x0000013806101900, 8 bytes long.
 Data: <  r 8   > 00 00 72 06 38 01 00 00 
{3833961} normal block at 0x00000138061017C0, 8 bytes long.
 Data: < &#175;  8   > 90 AF 12 06 38 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000138060F0010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000138060F8820, 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 0x0000013806106A20, 16 bytes long.
 Data: < e  8           > 18 65 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013806106930, 16 bytes long.
 Data: <&#240;d  8           > F0 64 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013806100820, 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 0x0000013806106FC0, 16 bytes long.
 Data: <&#200;d  8           > C8 64 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000138061068E0, 16 bytes long.
 Data: <&#160;d  8           > A0 64 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013806106700, 16 bytes long.
 Data: <xd  8           > 78 64 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013806107010, 16 bytes long.
 Data: <Pd  8           > 50 64 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013806105DB0, 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 0x0000013806106F20, 16 bytes long.
 Data: <&#200;&#172;  8           > C8 AC 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013806101480, 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 0x0000013806107510, 16 bytes long.
 Data: <&#160;&#172;  8           > A0 AC 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013806106840, 16 bytes long.
 Data: <x&#172;  8           > 78 AC 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000138061072E0, 16 bytes long.
 Data: <P&#172;  8           > 50 AC 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000138061074C0, 16 bytes long.
 Data: <(&#172;  8           > 28 AC 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013806107240, 16 bytes long.
 Data: < &#172;  8           > 00 AC 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013806106980, 16 bytes long.
 Data: <&#216;&#171;  8           > D8 AB 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000138061015A0, 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 0x0000013806106F70, 16 bytes long.
 Data: <&#176;&#171;  8           > B0 AB 0F 06 38 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000138060FABB0, 320 bytes long.
 Data: <po  8   &#160;   8   > 70 6F 10 06 38 01 00 00 A0 15 10 06 38 01 00 00 
{276} normal block at 0x0000013806106BB0, 16 bytes long.
 Data: <0d  8           > 30 64 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013806107420, 16 bytes long.
 Data: < d  8           > 08 64 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013806101240, 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 0x0000013806107060, 16 bytes long.
 Data: <&#224;c  8           > E0 63 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013806101600, 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 0x0000013806106890, 16 bytes long.
 Data: <(c  8           > 28 63 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000138061069D0, 16 bytes long.
 Data: < c  8           > 00 63 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013806106660, 16 bytes long.
 Data: <&#216;b  8           > D8 62 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000138061070B0, 16 bytes long.
 Data: <&#176;b  8           > B0 62 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013806102620, 16 bytes long.
 Data: < b  8           > 88 62 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013806101A90, 16 bytes long.
 Data: <`b  8           > 60 62 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013806102080, 16 bytes long.
 Data: <0Z  8           > 30 5A 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013806105A30, 40 bytes long.
 Data: <    8   0&#158;&#251; 8   > 80 20 10 06 38 01 00 00 30 9E FB 07 38 01 00 00 
{262} normal block at 0x0000013806101B30, 16 bytes long.
 Data: <@b  8           > 40 62 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013806101DB0, 16 bytes long.
 Data: < b  8           > 18 62 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013806100760, 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 0x00000138061025D0, 16 bytes long.
 Data: <&#240;a  8           > F0 61 10 06 38 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000138061061F0, 992 bytes long.
 Data: <&#208;%  8   `   8   > D0 25 10 06 38 01 00 00 60 07 10 06 38 01 00 00 
{94} normal block at 0x0000013806100A60, 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 0x0000013806101770, 16 bytes long.
 Data: < &#226;  8           > 20 E2 0E 06 38 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000138060EE220, 40 bytes long.
 Data: <p   8   `   8   > 70 17 10 06 38 01 00 00 60 0A 10 06 38 01 00 00 
{71} normal block at 0x0000013806102580, 16 bytes long.
 Data: < &#234;&#216;;&#246;           > 80 EA D8 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000138061022B0, 16 bytes long.
 Data: <@&#233;&#216;;&#246;           > 40 E9 D8 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013806101B80, 16 bytes long.
 Data: <&#248;W&#213;;&#246;           > F8 57 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000138061018B0, 16 bytes long.
 Data: <&#216;W&#213;;&#246;           > D8 57 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000138061019F0, 16 bytes long.
 Data: <P &#213;;&#246;           > 50 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000138061023F0, 16 bytes long.
 Data: <0 &#213;;&#246;           > 30 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013806102170, 16 bytes long.
 Data: <&#224; &#213;;&#246;           > E0 02 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013806102300, 16 bytes long.
 Data: <  &#213;;&#246;           > 10 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013806101E50, 16 bytes long.
 Data: <p &#213;;&#246;           > 70 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013806102120, 16 bytes long.
 Data: < &#192;&#211;;&#246;           > 18 C0 D3 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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