Task 38677213

Name test_802-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND0064_0
Workunit 31619094
Created 26 Oct 2026, 13:38:46 UTC
Sent 26 Oct 2026, 13:38:52 UTC
Report deadline 31 Oct 2026, 13:38:52 UTC
Received 26 Oct 2026, 14:10:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 26 min 52 sec
CPU time 25 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.98 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:44:06 (47736): wrapper (7.9.26016): starting
08:44:06 (47736): 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
08:44:07 (47736): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:44:07 (47736): 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\0\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\0\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
09:10:04 (47736): C:/Windows/system32/cmd.exe exited; CPU time 1518.562500
09:10:04 (47736): 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: 44183531 bytes.
Dumping objects ->
{3835258} normal block at 0x0000020F833ED260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000020F816246F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000020F81624680, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000020F81624610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020F81624C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000020F8343C280, 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) : {3835170} normal block at 0x0000020F8161EF70, 8 bytes long.
 Data: <   &#131;    > 00 00 15 83 0F 02 00 00 
{3833959} normal block at 0x0000020F8161E890, 8 bytes long.
 Data: < &#233;o     > 90 E9 6F 81 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020F81620680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020F81616990, 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 0x0000020F81626570, 16 bytes long.
 Data: <&#168;ib             > A8 69 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020F81626520, 16 bytes long.
 Data: < ib             > 80 69 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020F81620570, 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 0x0000020F81625710, 16 bytes long.
 Data: <Xib             > 58 69 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F81625C10, 16 bytes long.
 Data: <0ib             > 30 69 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020F816256C0, 16 bytes long.
 Data: < ib             > 08 69 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F81625DA0, 16 bytes long.
 Data: <&#224;hb             > E0 68 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020F816245A0, 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 0x0000020F81626430, 16 bytes long.
 Data: <xRb             > 78 52 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F8161F910, 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 0x0000020F81625AD0, 16 bytes long.
 Data: <PRb             > 50 52 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F816265C0, 16 bytes long.
 Data: <(Rb             > 28 52 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020F81626070, 16 bytes long.
 Data: < Rb             > 00 52 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F81625BC0, 16 bytes long.
 Data: <&#216;Qb             > D8 51 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F81625B70, 16 bytes long.
 Data: <&#176;Qb             > B0 51 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F81626340, 16 bytes long.
 Data: < Qb             > 88 51 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F8161F730, 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 0x0000020F81625A80, 16 bytes long.
 Data: <`Qb             > 60 51 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F81625160, 320 bytes long.
 Data: < Zb     0&#247;a     > 80 5A 62 81 0F 02 00 00 30 F7 61 81 0F 02 00 00 
{275} normal block at 0x0000020F81625F30, 16 bytes long.
 Data: <&#192;hb             > C0 68 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F816262A0, 16 bytes long.
 Data: < hb             > 98 68 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F8161FDF0, 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 0x0000020F81625A30, 16 bytes long.
 Data: <phb             > 70 68 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F8161FB50, 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 0x0000020F816261B0, 16 bytes long.
 Data: <&#184;gb             > B8 67 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F816263E0, 16 bytes long.
 Data: < gb             > 90 67 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020F81625B20, 16 bytes long.
 Data: <hgb             > 68 67 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F816257B0, 16 bytes long.
 Data: <@gb             > 40 67 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F81625EE0, 16 bytes long.
 Data: < gb             > 18 67 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020F81626110, 16 bytes long.
 Data: <&#240;fb             > F0 66 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F81626390, 16 bytes long.
 Data: <`Gb             > 60 47 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020F81624760, 40 bytes long.
 Data: < cb      &#194;C&#131;    > 90 63 62 81 0F 02 00 00 80 C2 43 83 0F 02 00 00 
{261} normal block at 0x0000020F81626480, 16 bytes long.
 Data: <&#208;fb             > D0 66 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F81626250, 16 bytes long.
 Data: <&#168;fb             > A8 66 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020F8161FAF0, 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 0x0000020F816264D0, 16 bytes long.
 Data: < fb             > 80 66 62 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020F81626680, 992 bytes long.
 Data: <&#208;db     &#240;&#250;a     > D0 64 62 81 0F 02 00 00 F0 FA 61 81 0F 02 00 00 
{93} normal block at 0x0000020F81620270, 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 0x0000020F8161F240, 16 bytes long.
 Data: <@&#177;`             > 40 B1 60 81 0F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020F8160B140, 40 bytes long.
 Data: <@&#242;a     p b     > 40 F2 61 81 0F 02 00 00 70 02 62 81 0F 02 00 00 
{70} normal block at 0x0000020F8161F560, 16 bytes long.
 Data: < &#234; V&#247;           > 80 EA 20 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020F8161F420, 16 bytes long.
 Data: <@&#233; V&#247;           > 40 E9 20 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020F8161EF20, 16 bytes long.
 Data: <&#248;W V&#247;           > F8 57 1D 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020F8161ECA0, 16 bytes long.
 Data: <&#216;W V&#247;           > D8 57 1D 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020F8161F510, 16 bytes long.
 Data: <P  V&#247;           > 50 04 1D 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020F8161F5B0, 16 bytes long.
 Data: <0  V&#247;           > 30 04 1D 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F8161EED0, 16 bytes long.
 Data: <&#224;  V&#247;           > E0 02 1D 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F8161EE80, 16 bytes long.
 Data: <   V&#247;           > 10 04 1D 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F8161F010, 16 bytes long.
 Data: <p  V&#247;           > 70 04 1D 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F8161F290, 16 bytes long.
 Data: < &#192; V&#247;           > 18 C0 1B 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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