Task 38666523

Name test_542-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8386_0
Workunit 31609406
Created 25 Oct 2026, 3:39:23 UTC
Sent 25 Oct 2026, 3:44:42 UTC
Report deadline 30 Oct 2026, 3:44:42 UTC
Received 25 Oct 2026, 4:47:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617663
Run time 30 min 23 sec
CPU time 28 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.26 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:16:24 (35200): wrapper (7.9.26016): starting
23:16:24 (35200): 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
23:16:25 (35200): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:16:25 (35200): 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 'F:\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 'F:\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
23:46:33 (35200): C:/Windows/system32/cmd.exe exited; CPU time 1711.234375
23:46:33 (35200): 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: 37091463 bytes.
Dumping objects ->
{3835194} normal block at 0x000001F88B069E50, 48 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001F889355B70, 48 bytes long.
 Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001F889355860, 48 bytes long.
 Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000001F8893557F0, 48 bytes long.
 Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001F889355B00, 48 bytes long.
 Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000001F88B07A240, 64 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x000001F88934F220, 8 bytes long.
 Data: <  |&#137;&#248;   > 00 00 7C 89 F8 01 00 00 
{3833959} normal block at 0x000001F88934ED20, 8 bytes long.
 Data: < &#138; &#139;&#248;   > 00 8A 06 8B F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F889346620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F889347A20, 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 0x000001F8893573A0, 16 bytes long.
 Data: < e5&#137;&#248;           > 88 65 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F8893570D0, 16 bytes long.
 Data: <`e5&#137;&#248;           > 60 65 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F889351810, 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 0x000001F8893575D0, 16 bytes long.
 Data: <8e5&#137;&#248;           > 38 65 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F889356900, 16 bytes long.
 Data: < e5&#137;&#248;           > 10 65 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F889357170, 16 bytes long.
 Data: <&#232;d5&#137;&#248;           > E8 64 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F8893572B0, 16 bytes long.
 Data: <&#192;d5&#137;&#248;           > C0 64 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F889355A20, 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 0x000001F8893574E0, 16 bytes long.
 Data: <h&#206;3&#137;&#248;           > 68 CE 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F889351870, 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 0x000001F889357260, 16 bytes long.
 Data: <@&#206;3&#137;&#248;           > 40 CE 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F889357120, 16 bytes long.
 Data: < &#206;3&#137;&#248;           > 18 CE 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F889356B30, 16 bytes long.
 Data: <&#240;&#205;3&#137;&#248;           > F0 CD 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F8893571C0, 16 bytes long.
 Data: <&#200;&#205;3&#137;&#248;           > C8 CD 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F889356C20, 16 bytes long.
 Data: <&#160;&#205;3&#137;&#248;           > A0 CD 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F8893567C0, 16 bytes long.
 Data: <x&#205;3&#137;&#248;           > 78 CD 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F889351150, 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 0x000001F889356BD0, 16 bytes long.
 Data: <P&#205;3&#137;&#248;           > 50 CD 33 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F88933CD50, 320 bytes long.
 Data: <&#208;k5&#137;&#248;   P 5&#137;&#248;   > D0 6B 35 89 F8 01 00 00 50 11 35 89 F8 01 00 00 
{275} normal block at 0x000001F889356810, 16 bytes long.
 Data: <&#160;d5&#137;&#248;           > A0 64 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F889356AE0, 16 bytes long.
 Data: <xd5&#137;&#248;           > 78 64 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F889350BB0, 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 0x000001F889357210, 16 bytes long.
 Data: <Pd5&#137;&#248;           > 50 64 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F8893510F0, 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 0x000001F889356770, 16 bytes long.
 Data: < c5&#137;&#248;           > 98 63 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F889356A40, 16 bytes long.
 Data: <pc5&#137;&#248;           > 70 63 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F8893568B0, 16 bytes long.
 Data: <Hc5&#137;&#248;           > 48 63 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F889356860, 16 bytes long.
 Data: < c5&#137;&#248;           > 20 63 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F889357080, 16 bytes long.
 Data: <&#248;b5&#137;&#248;           > F8 62 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F88934F040, 16 bytes long.
 Data: <&#208;b5&#137;&#248;           > D0 62 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F88934EFF0, 16 bytes long.
 Data: <&#224;T5&#137;&#248;           > E0 54 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F8893554E0, 40 bytes long.
 Data: <&#240;&#239;4&#137;&#248;   @&#162; &#139;&#248;   > F0 EF 34 89 F8 01 00 00 40 A2 07 8B F8 01 00 00 
{261} normal block at 0x000001F88934F310, 16 bytes long.
 Data: <&#176;b5&#137;&#248;           > B0 62 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F88934ED70, 16 bytes long.
 Data: < b5&#137;&#248;           > 88 62 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F889350F70, 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 0x000001F88934F4A0, 16 bytes long.
 Data: <`b5&#137;&#248;           > 60 62 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F889356260, 992 bytes long.
 Data: <&#160;&#244;4&#137;&#248;   p 5&#137;&#248;   > A0 F4 34 89 F8 01 00 00 70 0F 35 89 F8 01 00 00 
{93} normal block at 0x000001F889351030, 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 0x000001F88934F0E0, 16 bytes long.
 Data: <0V5&#137;&#248;           > 30 56 35 89 F8 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F889355630, 40 bytes long.
 Data: <&#224;&#240;4&#137;&#248;   0 5&#137;&#248;   > E0 F0 34 89 F8 01 00 00 30 10 35 89 F8 01 00 00 
{70} normal block at 0x000001F88934F180, 16 bytes long.
 Data: < &#234;&&#250;&#247;           > 80 EA 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F88934F7C0, 16 bytes long.
 Data: <@&#233;&&#250;&#247;           > 40 E9 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F88934EBE0, 16 bytes long.
 Data: <&#248;W#&#250;&#247;           > F8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F88934F770, 16 bytes long.
 Data: <&#216;W#&#250;&#247;           > D8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F88934F130, 16 bytes long.
 Data: <P #&#250;&#247;           > 50 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F88934F6D0, 16 bytes long.
 Data: <0 #&#250;&#247;           > 30 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F88934EA00, 16 bytes long.
 Data: <&#224; #&#250;&#247;           > E0 02 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F88934F8B0, 16 bytes long.
 Data: <  #&#250;&#247;           > 10 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F88934EE60, 16 bytes long.
 Data: <p #&#250;&#247;           > 70 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F88934F400, 16 bytes long.
 Data: < &#192;!&#250;&#247;           > 18 C0 21 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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