Task 38683903

Name test_482-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9971_1
Workunit 31625246
Created 27 Oct 2026, 13:52:18 UTC
Sent 27 Oct 2026, 13:52:21 UTC
Report deadline 1 Nov 2026, 13:52:21 UTC
Received 27 Oct 2026, 17:24:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 45 sec
CPU time 51 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.36 MB
Peak swap size 14.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:32:58 (9844): wrapper (7.9.26016): starting
17:32:58 (9844): 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
17:33:00 (9844): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:33:00 (9844): 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\66\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\66\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
18:23:41 (9844): C:/Windows/system32/cmd.exe exited; CPU time 3083.234375
18:23:41 (9844): 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: 54283979 bytes.
Dumping objects ->
{3835218} normal block at 0x0000029B188B7DD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000029B188B8700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000029B188B79E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835185} normal block at 0x0000029B188B7E40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000029B188B82A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835143} normal block at 0x0000029B1A6DCBB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x0000029B1A73CC50, 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) : {3835129} normal block at 0x0000029B18886F20, 8 bytes long.
 Data: <    &#155;   > 00 00 80 18 9B 02 00 00 
{3834528} normal block at 0x0000029B1A73C6D0, 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 0x0000029B18886FC0, 8 bytes long.
 Data: <p x &#155;   > 70 1D 78 1A 9B 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000029B18890F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029B18875C50, 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 0x0000029B18892BE0, 16 bytes long.
 Data: <&#168;5&#137; &#155;           > A8 35 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029B18892B40, 16 bytes long.
 Data: < 5&#137; &#155;           > 80 35 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029B1888C940, 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 0x0000029B18892AF0, 16 bytes long.
 Data: <X5&#137; &#155;           > 58 35 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029B18891FB0, 16 bytes long.
 Data: <05&#137; &#155;           > 30 35 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029B18892A50, 16 bytes long.
 Data: < 5&#137; &#155;           > 08 35 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029B188928C0, 16 bytes long.
 Data: <&#224;4&#137; &#155;           > E0 34 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029B1888B030, 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 0x0000029B18892230, 16 bytes long.
 Data: <&#232;[&#135; &#155;           > E8 5B 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029B1888CFA0, 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 0x0000029B18892460, 16 bytes long.
 Data: <&#192;[&#135; &#155;           > C0 5B 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029B18892B90, 16 bytes long.
 Data: < [&#135; &#155;           > 98 5B 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029B188925F0, 16 bytes long.
 Data: <p[&#135; &#155;           > 70 5B 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029B18892E10, 16 bytes long.
 Data: <H[&#135; &#155;           > 48 5B 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029B188925A0, 16 bytes long.
 Data: < [&#135; &#155;           > 20 5B 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029B18892410, 16 bytes long.
 Data: <&#248;Z&#135; &#155;           > F8 5A 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029B1888CB80, 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 0x0000029B18892A00, 16 bytes long.
 Data: <&#208;Z&#135; &#155;           > D0 5A 87 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029B18875AD0, 320 bytes long.
 Data: < *&#137; &#155;    &#203;  &#155;   > 00 2A 89 18 9B 02 00 00 80 CB 88 18 9B 02 00 00 
{269} normal block at 0x0000029B188929B0, 16 bytes long.
 Data: <&#192;4&#137; &#155;           > C0 34 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029B18892960, 16 bytes long.
 Data: < 4&#137; &#155;           > 98 34 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029B1888C640, 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 0x0000029B18892280, 16 bytes long.
 Data: <p4&#137; &#155;           > 70 34 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029B1888D300, 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 0x0000029B18892500, 16 bytes long.
 Data: <&#184;3&#137; &#155;           > B8 33 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029B188927D0, 16 bytes long.
 Data: < 3&#137; &#155;           > 90 33 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029B18891EC0, 16 bytes long.
 Data: <h3&#137; &#155;           > 68 33 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029B18892780, 16 bytes long.
 Data: <@3&#137; &#155;           > 40 33 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029B18891F10, 16 bytes long.
 Data: < 3&#137; &#155;           > 18 33 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029B188923C0, 16 bytes long.
 Data: <&#240;2&#137; &#155;           > F0 32 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029B18892DC0, 16 bytes long.
 Data: <0&#183;  &#155;           > 30 B7 88 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029B1888B730, 40 bytes long.
 Data: <&#192;-&#137; &#155;   &#176;&#203;m &#155;   > C0 2D 89 18 9B 02 00 00 B0 CB 6D 1A 9B 02 00 00 
{255} normal block at 0x0000029B188924B0, 16 bytes long.
 Data: <&#208;2&#137; &#155;           > D0 32 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000029B18892730, 16 bytes long.
 Data: <&#168;2&#137; &#155;           > A8 32 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000029B1888CAC0, 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 0x0000029B18892870, 16 bytes long.
 Data: < 2&#137; &#155;           > 80 32 89 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000029B18893280, 992 bytes long.
 Data: <p(&#137; &#155;   &#192;&#202;  &#155;   > 70 28 89 18 9B 02 00 00 C0 CA 88 18 9B 02 00 00 
{87} normal block at 0x0000029B1888CE20, 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 0x0000029B18886340, 16 bytes long.
 Data: < &#180;  &#155;           > 90 B4 88 18 9B 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000029B1888B490, 40 bytes long.
 Data: <@c  &#155;    &#206;  &#155;   > 40 63 88 18 9B 02 00 00 20 CE 88 18 9B 02 00 00 
{64} normal block at 0x0000029B18886930, 16 bytes long.
 Data: < &#234;&#224;&#209;&#247;           > 80 EA E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029B18886F70, 16 bytes long.
 Data: <@&#233;&#224;&#209;&#247;           > 40 E9 E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029B188867F0, 16 bytes long.
 Data: <&#248;W&#221;&#209;&#247;           > F8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029B188862A0, 16 bytes long.
 Data: <&#216;W&#221;&#209;&#247;           > D8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029B18886ED0, 16 bytes long.
 Data: <P &#221;&#209;&#247;           > 50 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029B188871F0, 16 bytes long.
 Data: <0 &#221;&#209;&#247;           > 30 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029B188868E0, 16 bytes long.
 Data: <&#224; &#221;&#209;&#247;           > E0 02 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000029B188867A0, 16 bytes long.
 Data: <  &#221;&#209;&#247;           > 10 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000029B18886840, 16 bytes long.
 Data: <p &#221;&#209;&#247;           > 70 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000029B188871A0, 16 bytes long.
 Data: < &#192;&#219;&#209;&#247;           > 18 C0 DB D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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