Task 38695336

Name test_193-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6843_1
Workunit 31636030
Created 31 Oct 2026, 9:18:22 UTC
Sent 31 Oct 2026, 9:18:30 UTC
Report deadline 5 Nov 2026, 9:18:30 UTC
Received 31 Oct 2026, 9:49:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 190034
Run time 29 min 31 sec
CPU time 27 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.29 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:19:51 (28980): wrapper (7.9.26016): starting
10:19:51 (28980): 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
10:19:53 (28980): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:19:54 (28980): 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 'E:\ProgramData\BOINC\slots\1\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 'E:\ProgramData\BOINC\slots\1\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
10:48:24 (28980): C:/Windows/system32/cmd.exe exited; CPU time 1674.984375
10:48:24 (28980): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 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: 30136075 bytes.
Dumping objects ->
{3835248} normal block at 0x00000167547ECC10, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000016752B749D0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000016752B748F0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000016752B747A0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000016752B746C0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000016754834540, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835162} normal block at 0x0000016752B6B920, 201 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) : {3835159} normal block at 0x0000016752B6FCE0, 8 bytes long.
 Data: <  &#251;Rg   > 00 00 FB 52 67 01 00 00 
{3834554} normal block at 0x0000016752B6D080, 201 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000016752B6FFB0, 8 bytes long.
 Data: <p2&#137;Tg   > 70 32 89 54 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000016752B66B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016752B67390, 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 0x0000016752B76040, 16 bytes long.
 Data: <&#232;g&#183;Rg           > E8 67 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016752B75640, 16 bytes long.
 Data: <&#192;g&#183;Rg           > C0 67 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016752B70CE0, 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 0x0000016752B75CD0, 16 bytes long.
 Data: < g&#183;Rg           > 98 67 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016752B75C80, 16 bytes long.
 Data: <pg&#183;Rg           > 70 67 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016752B75C30, 16 bytes long.
 Data: <Hg&#183;Rg           > 48 67 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016752B75AF0, 16 bytes long.
 Data: < g&#183;Rg           > 20 67 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016752B74D50, 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 0x0000016752B75EB0, 16 bytes long.
 Data: <&#216;&#241;&#181;Rg           > D8 F1 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016752B70F20, 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 0x0000016752B755A0, 16 bytes long.
 Data: <&#176;&#241;&#181;Rg           > B0 F1 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016752B75AA0, 16 bytes long.
 Data: < &#241;&#181;Rg           > 88 F1 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016752B755F0, 16 bytes long.
 Data: <`&#241;&#181;Rg           > 60 F1 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016752B75500, 16 bytes long.
 Data: <8&#241;&#181;Rg           > 38 F1 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016752B75E60, 16 bytes long.
 Data: < &#241;&#181;Rg           > 10 F1 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016752B75FF0, 16 bytes long.
 Data: <&#232;&#240;&#181;Rg           > E8 F0 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016752B707A0, 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 0x0000016752B75870, 16 bytes long.
 Data: <&#192;&#240;&#181;Rg           > C0 F0 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016752B5F0C0, 320 bytes long.
 Data: <pX&#183;Rg   &#160; &#183;Rg   > 70 58 B7 52 67 01 00 00 A0 07 B7 52 67 01 00 00 
{275} normal block at 0x0000016752B76450, 16 bytes long.
 Data: < g&#183;Rg           > 00 67 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016752B75DC0, 16 bytes long.
 Data: <&#216;f&#183;Rg           > D8 66 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016752B71640, 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 0x0000016752B76400, 16 bytes long.
 Data: <&#176;f&#183;Rg           > B0 66 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016752B71400, 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 0x0000016752B75FA0, 16 bytes long.
 Data: <&#248;e&#183;Rg           > F8 65 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016752B75E10, 16 bytes long.
 Data: <&#208;e&#183;Rg           > D0 65 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016752B760E0, 16 bytes long.
 Data: <&#168;e&#183;Rg           > A8 65 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016752B75550, 16 bytes long.
 Data: < e&#183;Rg           > 80 65 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016752B75820, 16 bytes long.
 Data: <Xe&#183;Rg           > 58 65 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016752B75A00, 16 bytes long.
 Data: <0e&#183;Rg           > 30 65 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016752B75A50, 16 bytes long.
 Data: < H&#183;Rg           > 10 48 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016752B74810, 40 bytes long.
 Data: <PZ&#183;Rg   @E Tg   > 50 5A B7 52 67 01 00 00 40 45 83 54 67 01 00 00 
{261} normal block at 0x0000016752B76360, 16 bytes long.
 Data: < e&#183;Rg           > 10 65 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016752B75B90, 16 bytes long.
 Data: <&#232;d&#183;Rg           > E8 64 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016752B71160, 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 0x0000016752B75B40, 16 bytes long.
 Data: <&#192;d&#183;Rg           > C0 64 B7 52 67 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016752B764C0, 992 bytes long.
 Data: <@[&#183;Rg   ` &#183;Rg   > 40 5B B7 52 67 01 00 00 60 11 B7 52 67 01 00 00 
{93} normal block at 0x0000016752B70C20, 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 0x0000016752B6F970, 16 bytes long.
 Data: <0&#224;&#181;Rg           > 30 E0 B5 52 67 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000016752B5E030, 40 bytes long.
 Data: <p&#249;&#182;Rg     &#183;Rg   > 70 F9 B6 52 67 01 00 00 20 0C B7 52 67 01 00 00 
{70} normal block at 0x0000016752B700A0, 16 bytes long.
 Data: < &#234;&#173;&#251;&#246;           > 80 EA AD FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016752B70370, 16 bytes long.
 Data: <@&#233;&#173;&#251;&#246;           > 40 E9 AD FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016752B6F7E0, 16 bytes long.
 Data: <&#248;W&#170;&#251;&#246;           > F8 57 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016752B6FAB0, 16 bytes long.
 Data: <&#216;W&#170;&#251;&#246;           > D8 57 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016752B6FC90, 16 bytes long.
 Data: <P &#170;&#251;&#246;           > 50 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016752B703C0, 16 bytes long.
 Data: <0 &#170;&#251;&#246;           > 30 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016752B6FB50, 16 bytes long.
 Data: <&#224; &#170;&#251;&#246;           > E0 02 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016752B70000, 16 bytes long.
 Data: <  &#170;&#251;&#246;           > 10 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016752B6FA60, 16 bytes long.
 Data: <p &#170;&#251;&#246;           > 70 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016752B70550, 16 bytes long.
 Data: < &#192;&#168;&#251;&#246;           > 18 C0 A8 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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