Task 38682209

Name test_227-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND0494_0
Workunit 31623839
Created 27 Oct 2026, 7:00:07 UTC
Sent 27 Oct 2026, 7:00:09 UTC
Report deadline 1 Nov 2026, 7:00:09 UTC
Received 27 Oct 2026, 9:01:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650214
Run time 1 hours 2 min 19 sec
CPU time 1 hours 2 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.72 MB
Peak swap size 11.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:55:11 (15340): wrapper (7.9.26016): starting
08:55:11 (15340): 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
08:55:13 (15340): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:55:13 (15340): 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\29\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\29\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
10:00:29 (15340): C:/Windows/system32/cmd.exe exited; CPU time 3739.656250
10:00:29 (15340): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 58374519 bytes.
Dumping objects ->
{3835271} normal block at 0x00000217CA2670B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x00000217CA266FD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x00000217CA266E10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x00000217CA266DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000217CA2675F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x00000217CA20AF90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000217CA26D230, 102 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) : {3835182} normal block at 0x00000217C86067F0, 8 bytes long.
 Data: <  &#247;&#201;    > 00 00 F7 C9 17 02 00 00 
{3834555} normal block at 0x00000217CA26D9C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000217C8606B60, 8 bytes long.
 Data: < x/&#202;    > 00 78 2F CA 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000217C8611190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000217C85FAE10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000217C8612EA0, 16 bytes long.
 Data: < 6a&#200;            > 88 36 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000217C8612680, 16 bytes long.
 Data: <`6a&#200;            > 60 36 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000217C860CB20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000217C8612270, 16 bytes long.
 Data: <86a&#200;            > 38 36 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217C86121D0, 16 bytes long.
 Data: < 6a&#200;            > 10 36 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000217C8612180, 16 bytes long.
 Data: <&#232;5a&#200;            > E8 35 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000217C8612630, 16 bytes long.
 Data: <&#192;5a&#200;            > C0 35 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217C860B6F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000217C86125E0, 16 bytes long.
 Data: <&#184;&#196;`&#200;            > B8 C4 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000217C860CDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000217C8612590, 16 bytes long.
 Data: < &#196;`&#200;            > 90 C4 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000217C8612900, 16 bytes long.
 Data: <h&#196;`&#200;            > 68 C4 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000217C8612220, 16 bytes long.
 Data: <@&#196;`&#200;            > 40 C4 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000217C86128B0, 16 bytes long.
 Data: < &#196;`&#200;            > 18 C4 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000217C8612810, 16 bytes long.
 Data: <&#240;&#195;`&#200;            > F0 C3 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000217C8612A40, 16 bytes long.
 Data: <&#200;&#195;`&#200;            > C8 C3 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217C860CD00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000217C8612090, 16 bytes long.
 Data: <&#160;&#195;`&#200;            > A0 C3 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000217C860C3A0, 320 bytes long.
 Data: <  a&#200;     &#205;`&#200;    > 90 20 61 C8 17 02 00 00 00 CD 60 C8 17 02 00 00 
{269} normal block at 0x00000217C8612C70, 16 bytes long.
 Data: <&#160;5a&#200;            > A0 35 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000217C8612C20, 16 bytes long.
 Data: <x5a&#200;            > 78 35 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000217C860C880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000217C8612540, 16 bytes long.
 Data: <P5a&#200;            > 50 35 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000217C860CD60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000217C86124F0, 16 bytes long.
 Data: < 4a&#200;            > 98 34 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000217C8612B30, 16 bytes long.
 Data: <p4a&#200;            > 70 34 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000217C86126D0, 16 bytes long.
 Data: <H4a&#200;            > 48 34 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000217C8611FF0, 16 bytes long.
 Data: < 4a&#200;            > 20 34 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000217C8612E50, 16 bytes long.
 Data: <&#248;3a&#200;            > F8 33 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000217C8612DB0, 16 bytes long.
 Data: <&#208;3a&#200;            > D0 33 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000217C8612D10, 16 bytes long.
 Data: <&#208;&#176;`&#200;            > D0 B0 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000217C860B0D0, 40 bytes long.
 Data: < -a&#200;     &#175; &#202;    > 10 2D 61 C8 17 02 00 00 90 AF 20 CA 17 02 00 00 
{255} normal block at 0x00000217C8612CC0, 16 bytes long.
 Data: <&#176;3a&#200;            > B0 33 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000217C86124A0, 16 bytes long.
 Data: < 3a&#200;            > 88 33 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000217C860C6A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000217C8612AE0, 16 bytes long.
 Data: <`3a&#200;            > 60 33 61 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000217C8613360, 992 bytes long.
 Data: <&#224;*a&#200;    &#160;&#198;`&#200;    > E0 2A 61 C8 17 02 00 00 A0 C6 60 C8 17 02 00 00 
{87} normal block at 0x00000217C860CA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000217C8607100, 16 bytes long.
 Data: <P&#180;`&#200;            > 50 B4 60 C8 17 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000217C860B450, 40 bytes long.
 Data: < q`&#200;    `&#202;`&#200;    > 00 71 60 C8 17 02 00 00 60 CA 60 C8 17 02 00 00 
{64} normal block at 0x00000217C86071A0, 16 bytes long.
 Data: < &#234;&#249;&#249;&#247;           > 80 EA F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000217C8606E80, 16 bytes long.
 Data: <@&#233;&#249;&#249;&#247;           > 40 E9 F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000217C8606F70, 16 bytes long.
 Data: <&#248;W&#246;&#249;&#247;           > F8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000217C8606E30, 16 bytes long.
 Data: <&#216;W&#246;&#249;&#247;           > D8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000217C8606DE0, 16 bytes long.
 Data: <P &#246;&#249;&#247;           > 50 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000217C8606750, 16 bytes long.
 Data: <0 &#246;&#249;&#247;           > 30 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000217C8606F20, 16 bytes long.
 Data: <&#224; &#246;&#249;&#247;           > E0 02 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000217C8606AC0, 16 bytes long.
 Data: <  &#246;&#249;&#247;           > 10 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000217C8606D90, 16 bytes long.
 Data: <p &#246;&#249;&#247;           > 70 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000217C86065C0, 16 bytes long.
 Data: < &#192;&#244;&#249;&#247;           > 18 C0 F4 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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