Task 38681314

Name test_137-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1398_1
Workunit 31622867
Created 27 Oct 2026, 3:29:10 UTC
Sent 27 Oct 2026, 3:29:11 UTC
Report deadline 1 Nov 2026, 3:29:11 UTC
Received 27 Oct 2026, 4:55:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 35 sec
CPU time 51 min 6 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 715.09 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>
05:04:19 (16612): wrapper (7.9.26016): starting
05:04:19 (16612): 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
05:04:21 (16612): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:04:21 (16612): 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\71\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\71\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
05:54:51 (16612): C:/Windows/system32/cmd.exe exited; CPU time 3066.093750
05:54:51 (16612): 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: 54517719 bytes.
Dumping objects ->
{3835218} normal block at 0x00000299D22A8260, 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 0x00000299D22A80A0, 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 0x00000299D22A7D90, 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 0x00000299D22A8110, 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 0x00000299D22A7770, 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 0x00000299D219BD10, 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 0x00000299D21FCCB0, 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 0x00000299D0376A00, 8 bytes long.
 Data: <  3&#208;    > 00 00 33 D0 99 02 00 00 
{3834528} normal block at 0x00000299D21FD2E0, 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 0x00000299D0376910, 8 bytes long.
 Data: < &#132;*&#210;    > 90 84 2A D2 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000299D03814D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000299D0365C50, 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 0x00000299D0382BA0, 16 bytes long.
 Data: <&#200;58&#208;            > C8 35 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000299D0382830, 16 bytes long.
 Data: <&#160;58&#208;            > A0 35 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000299D037D1A0, 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 0x00000299D0382F10, 16 bytes long.
 Data: <x58&#208;            > 78 35 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000299D0382740, 16 bytes long.
 Data: <P58&#208;            > 50 35 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000299D0382B00, 16 bytes long.
 Data: <(58&#208;            > 28 35 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000299D03826F0, 16 bytes long.
 Data: < 58&#208;            > 00 35 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000299D037B6D0, 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 0x00000299D03826A0, 16 bytes long.
 Data: <&#232;[6&#208;            > E8 5B 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000299D037CC00, 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 0x00000299D0382650, 16 bytes long.
 Data: <&#192;[6&#208;            > C0 5B 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000299D0382600, 16 bytes long.
 Data: < [6&#208;            > 98 5B 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000299D0382EC0, 16 bytes long.
 Data: <p[6&#208;            > 70 5B 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000299D0382560, 16 bytes long.
 Data: <H[6&#208;            > 48 5B 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000299D0382510, 16 bytes long.
 Data: < [6&#208;            > 20 5B 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000299D0382FB0, 16 bytes long.
 Data: <&#248;Z6&#208;            > F8 5A 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000299D037D140, 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 0x00000299D0382E70, 16 bytes long.
 Data: <&#208;Z6&#208;            > D0 5A 36 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000299D0365AD0, 320 bytes long.
 Data: <p.8&#208;    @&#209;7&#208;    > 70 2E 38 D0 99 02 00 00 40 D1 37 D0 99 02 00 00 
{269} normal block at 0x00000299D0382CE0, 16 bytes long.
 Data: <&#224;48&#208;            > E0 34 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000299D03829C0, 16 bytes long.
 Data: <&#184;48&#208;            > B8 34 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000299D037C960, 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 0x00000299D03823D0, 16 bytes long.
 Data: < 48&#208;            > 90 34 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000299D037CBA0, 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 0x00000299D0382970, 16 bytes long.
 Data: <&#216;38&#208;            > D8 33 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000299D0383230, 16 bytes long.
 Data: <&#176;38&#208;            > B0 33 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000299D0382920, 16 bytes long.
 Data: < 38&#208;            > 88 33 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000299D0382C90, 16 bytes long.
 Data: <`38&#208;            > 60 33 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000299D03827E0, 16 bytes long.
 Data: <838&#208;            > 38 33 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000299D0382420, 16 bytes long.
 Data: < 38&#208;            > 10 33 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000299D0382D80, 16 bytes long.
 Data: <&#160;&#180;7&#208;            > A0 B4 37 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000299D037B4A0, 40 bytes long.
 Data: < -8&#208;     &#189; &#210;    > 80 2D 38 D0 99 02 00 00 10 BD 19 D2 99 02 00 00 
{255} normal block at 0x00000299D0382380, 16 bytes long.
 Data: <&#240;28&#208;            > F0 32 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000299D0382D30, 16 bytes long.
 Data: <&#200;28&#208;            > C8 32 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000299D037C6C0, 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 0x00000299D03824C0, 16 bytes long.
 Data: <&#160;28&#208;            > A0 32 38 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000299D03832A0, 992 bytes long.
 Data: <&#192;$8&#208;    &#192;&#198;7&#208;    > C0 24 38 D0 99 02 00 00 C0 C6 37 D0 99 02 00 00 
{87} normal block at 0x00000299D037D260, 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 0x00000299D03763C0, 16 bytes long.
 Data: <&#224;&#178;7&#208;            > E0 B2 37 D0 99 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000299D037B2E0, 40 bytes long.
 Data: <&#192;c7&#208;    `&#210;7&#208;    > C0 63 37 D0 99 02 00 00 60 D2 37 D0 99 02 00 00 
{64} normal block at 0x00000299D0376E10, 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 0x00000299D03764B0, 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 0x00000299D0376DC0, 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 0x00000299D0376FA0, 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 0x00000299D0376730, 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 0x00000299D03767D0, 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 0x00000299D0376A50, 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 0x00000299D0376EB0, 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 0x00000299D0376320, 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 0x00000299D0377220, 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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