Task 38684826

Name test_850-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0323_0
Workunit 31626327
Created 27 Oct 2026, 18:11:08 UTC
Sent 27 Oct 2026, 18:11:19 UTC
Report deadline 1 Nov 2026, 18:11:19 UTC
Received 27 Oct 2026, 18:42:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 22 min 50 sec
CPU time 22 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.41 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:17:03 (21364): wrapper (7.9.26016): starting
18:17:03 (21364): 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
18:17:04 (21364): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:17:04 (21364): 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\62\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\62\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
18:40:58 (21364): C:/Windows/system32/cmd.exe exited; CPU time 1370.500000
18:40:58 (21364): 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: 27010663 bytes.
Dumping objects ->
{3835192} normal block at 0x00000206B299CE30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x00000206B299CC00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x00000206B299C9D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x00000206B0C94940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000206B0C948D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x00000206B29E7AD0, 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) : {3835104} normal block at 0x00000206B0C8FDB0, 8 bytes long.
 Data: <  &#193;&#176;    > 00 00 C1 B0 06 02 00 00 
{3833961} normal block at 0x00000206B0C8F9A0, 8 bytes long.
 Data: <0D&#164;&#178;    > 30 44 A4 B2 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000206B0C86850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000206B0C87C70, 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 0x00000206B0C95F80, 16 bytes long.
 Data: < e&#201;&#176;            > 98 65 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000206B0C95940, 16 bytes long.
 Data: <pe&#201;&#176;            > 70 65 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000206B0C90960, 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 0x00000206B0C95CB0, 16 bytes long.
 Data: <He&#201;&#176;            > 48 65 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000206B0C95EE0, 16 bytes long.
 Data: < e&#201;&#176;            > 20 65 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000206B0C95490, 16 bytes long.
 Data: <&#248;d&#201;&#176;            > F8 64 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000206B0C95BC0, 16 bytes long.
 Data: <&#208;d&#201;&#176;            > D0 64 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206B0C94CC0, 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 0x00000206B0C95A80, 16 bytes long.
 Data: < &#249;&#199;&#176;            > 88 F9 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000206B0C909C0, 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 0x00000206B0C95B20, 16 bytes long.
 Data: <`&#249;&#199;&#176;            > 60 F9 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000206B0C96200, 16 bytes long.
 Data: <8&#249;&#199;&#176;            > 38 F9 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206B0C95E40, 16 bytes long.
 Data: < &#249;&#199;&#176;            > 10 F9 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206B0C95DA0, 16 bytes long.
 Data: <&#232;&#248;&#199;&#176;            > E8 F8 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206B0C95E90, 16 bytes long.
 Data: <&#192;&#248;&#199;&#176;            > C0 F8 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206B0C961B0, 16 bytes long.
 Data: < &#248;&#199;&#176;            > 98 F8 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206B0C90AE0, 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 0x00000206B0C956C0, 16 bytes long.
 Data: <p&#248;&#199;&#176;            > 70 F8 C7 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000206B0C7F870, 320 bytes long.
 Data: <&#192;V&#201;&#176;    &#224; &#201;&#176;    > C0 56 C9 B0 06 02 00 00 E0 0A C9 B0 06 02 00 00 
{276} normal block at 0x00000206B0C95F30, 16 bytes long.
 Data: <&#176;d&#201;&#176;            > B0 64 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000206B0C958F0, 16 bytes long.
 Data: < d&#201;&#176;            > 88 64 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206B0C90840, 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 0x00000206B0C953A0, 16 bytes long.
 Data: <`d&#201;&#176;            > 60 64 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206B0C91200, 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 0x00000206B0C95670, 16 bytes long.
 Data: <&#168;c&#201;&#176;            > A8 63 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206B0C95D50, 16 bytes long.
 Data: < c&#201;&#176;            > 80 63 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206B0C96070, 16 bytes long.
 Data: <Xc&#201;&#176;            > 58 63 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206B0C95710, 16 bytes long.
 Data: <0c&#201;&#176;            > 30 63 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000206B0C95A30, 16 bytes long.
 Data: < c&#201;&#176;            > 08 63 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206B0C96160, 16 bytes long.
 Data: <&#224;b&#201;&#176;            > E0 62 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000206B0C959E0, 16 bytes long.
 Data: <&#160;F&#201;&#176;            > A0 46 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000206B0C946A0, 40 bytes long.
 Data: <&#224;Y&#201;&#176;    &#208;z&#158;&#178;    > E0 59 C9 B0 06 02 00 00 D0 7A 9E B2 06 02 00 00 
{262} normal block at 0x00000206B0C96020, 16 bytes long.
 Data: <&#192;b&#201;&#176;            > C0 62 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000206B0C95620, 16 bytes long.
 Data: < b&#201;&#176;            > 98 62 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206B0C91680, 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 0x00000206B0C95DF0, 16 bytes long.
 Data: <pb&#201;&#176;            > 70 62 C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000206B0C96270, 992 bytes long.
 Data: <&#240;]&#201;&#176;      &#201;&#176;    > F0 5D C9 B0 06 02 00 00 80 16 C9 B0 06 02 00 00 
{94} normal block at 0x00000206B0C90A20, 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 0x00000206B0C8FAE0, 16 bytes long.
 Data: <PL&#201;&#176;            > 50 4C C9 B0 06 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000206B0C94C50, 40 bytes long.
 Data: <&#224;&#250;&#200;&#176;      &#201;&#176;    > E0 FA C8 B0 06 02 00 00 20 0A C9 B0 06 02 00 00 
{71} normal block at 0x00000206B0C8F860, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000206B0C8FBD0, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000206B0C90300, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206B0C906C0, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000206B0C8FCC0, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000206B0C8FFE0, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206B0C8FB30, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000206B0C90490, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000206B0C8FEA0, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000206B0C8FF90, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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