Task 38687570

Name test_802-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND0064_0
Workunit 31628955
Created 28 Oct 2026, 8:33:09 UTC
Sent 28 Oct 2026, 8:33:13 UTC
Report deadline 2 Nov 2026, 8:33:13 UTC
Received 28 Oct 2026, 9:03:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641051
Run time 23 min 17 sec
CPU time 21 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.21 MB
Peak swap size 13.05 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:41:09 (3088): wrapper (7.9.26016): starting
04:41:09 (3088): 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
04:41:11 (3088): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:41:11 (3088): 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\32\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\32\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
05:02:32 (3088): C:/Windows/system32/cmd.exe exited; CPU time 1265.343750
05:02:32 (3088): 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: 27100151 bytes.
Dumping objects ->
{3835197} normal block at 0x00000206AC043D70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000206AC043C90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000206AC043C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x00000206AC043BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000206AC043B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x00000206AE285860, 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) : {3835109} normal block at 0x00000206AC03DAF0, 8 bytes long.
 Data: <  &#246;&#171;    > 00 00 F6 AB 06 02 00 00 
{3833959} normal block at 0x00000206AC03E6D0, 8 bytes long.
 Data: <0 .&#174;    > 30 13 2E AE 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000206AC0357E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000206AC040430, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000206AC044960, 16 bytes long.
 Data: < W &#172;            > 98 57 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000206AC0450E0, 16 bytes long.
 Data: <pW &#172;            > 70 57 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206AC03F1B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000206AC044E10, 16 bytes long.
 Data: <HW &#172;            > 48 57 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000206AC044550, 16 bytes long.
 Data: < W &#172;            > 20 57 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000206AC044C30, 16 bytes long.
 Data: <&#248;V &#172;            > F8 56 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206AC045310, 16 bytes long.
 Data: <&#208;V &#172;            > D0 56 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000206AC043910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000206AC044DC0, 16 bytes long.
 Data: <X&#224; &#172;            > 58 E0 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000206AC03F390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000206AC044D70, 16 bytes long.
 Data: <0&#224; &#172;            > 30 E0 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206AC044F00, 16 bytes long.
 Data: < &#224; &#172;            > 08 E0 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206AC044690, 16 bytes long.
 Data: <&#224;&#223; &#172;            > E0 DF 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206AC0449B0, 16 bytes long.
 Data: <&#184;&#223; &#172;            > B8 DF 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206AC044F50, 16 bytes long.
 Data: < &#223; &#172;            > 90 DF 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206AC044780, 16 bytes long.
 Data: <h&#223; &#172;            > 68 DF 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000206AC03F150, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000206AC044B90, 16 bytes long.
 Data: <@&#223; &#172;            > 40 DF 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000206AC02DF40, 320 bytes long.
 Data: < K &#172;    P&#241; &#172;    > 90 4B 04 AC 06 02 00 00 50 F1 03 AC 06 02 00 00 
{275} normal block at 0x00000206AC044C80, 16 bytes long.
 Data: <&#176;V &#172;            > B0 56 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206AC044BE0, 16 bytes long.
 Data: < V &#172;            > 88 56 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000206AC03F450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000206AC045180, 16 bytes long.
 Data: <`V &#172;            > 60 56 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000206AC03F0F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000206AC0448C0, 16 bytes long.
 Data: <&#168;U &#172;            > A8 55 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206AC044E60, 16 bytes long.
 Data: < U &#172;            > 80 55 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206AC044CD0, 16 bytes long.
 Data: <XU &#172;            > 58 55 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000206AC045090, 16 bytes long.
 Data: <0U &#172;            > 30 55 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206AC044500, 16 bytes long.
 Data: < U &#172;            > 08 55 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206AC0453B0, 16 bytes long.
 Data: <&#224;T &#172;            > E0 54 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000206AC045360, 16 bytes long.
 Data: <&#208;: &#172;            > D0 3A 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206AC043AD0, 40 bytes long.
 Data: <`S &#172;    `X(&#174;    > 60 53 04 AC 06 02 00 00 60 58 28 AE 06 02 00 00 
{261} normal block at 0x00000206AC0446E0, 16 bytes long.
 Data: <&#192;T &#172;            > C0 54 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206AC044A00, 16 bytes long.
 Data: < T &#172;            > 98 54 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000206AC03F330, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000206AC044AF0, 16 bytes long.
 Data: <pT &#172;            > 70 54 04 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000206AC045470, 992 bytes long.
 Data: <&#240;J &#172;    0&#243; &#172;    > F0 4A 04 AC 06 02 00 00 30 F3 03 AC 06 02 00 00 
{93} normal block at 0x00000206AC03EEB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000206AC03E680, 16 bytes long.
 Data: < &#194; &#172;            > 00 C2 02 AC 06 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000206AC02C200, 40 bytes long.
 Data: < &#230; &#172;    &#176;&#238; &#172;    > 80 E6 03 AC 06 02 00 00 B0 EE 03 AC 06 02 00 00 
{70} normal block at 0x00000206AC03E540, 16 bytes long.
 Data: < &#234;&#216;&#160;&#247;           > 80 EA D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000206AC03D960, 16 bytes long.
 Data: <@&#233;&#216;&#160;&#247;           > 40 E9 D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206AC03E4A0, 16 bytes long.
 Data: <&#248;W&#213;&#160;&#247;           > F8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000206AC03DCD0, 16 bytes long.
 Data: <&#216;W&#213;&#160;&#247;           > D8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000206AC03E770, 16 bytes long.
 Data: <P &#213;&#160;&#247;           > 50 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206AC03DEB0, 16 bytes long.
 Data: <0 &#213;&#160;&#247;           > 30 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000206AC03DF50, 16 bytes long.
 Data: <&#224; &#213;&#160;&#247;           > E0 02 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000206AC03DC80, 16 bytes long.
 Data: <  &#213;&#160;&#247;           > 10 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000206AC03E5E0, 16 bytes long.
 Data: <p &#213;&#160;&#247;           > 70 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000206AC03DE60, 16 bytes long.
 Data: < &#192;&#211;&#160;&#247;           > 18 C0 D3 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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