Task 38688615

Name test_482-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9971_0
Workunit 31629945
Created 28 Oct 2026, 15:06:11 UTC
Sent 28 Oct 2026, 15:06:18 UTC
Report deadline 2 Nov 2026, 15:06:18 UTC
Received 28 Oct 2026, 16:09:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 1 min 56 sec
CPU time 57 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 649.49 MB
Peak swap size 2.21 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:08:45 (27316): wrapper (7.9.26016): starting
17:08:45 (27316): 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
17:08:47 (27316): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:08:47 (27316): 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\3\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\3\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
18:08:37 (27316): C:/Windows/system32/cmd.exe exited; CPU time 3430.718750
18:08:37 (27316): 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: 54282871 bytes.
Dumping objects ->
{3835257} normal block at 0x000002483BCE0990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000002483BCE1250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000002483BCE0E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x000002483BCE0ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000002483BCE11E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x000002483BD8C3F0, 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) : {3835169} normal block at 0x000002483A2F72E0, 8 bytes long.
 Data: <  &#188;;H   > 00 00 BC 3B 48 02 00 00 
{3833951} normal block at 0x000002483A2F6A20, 8 bytes long.
 Data: < D8:H   > 10 44 38 3A 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002483A2FCE60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002483A2E6120, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002483A303E00, 16 bytes long.
 Data: <&#232;&#202;/:H           > E8 CA 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002483A303DB0, 16 bytes long.
 Data: <&#192;&#202;/:H           > C0 CA 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002483A2FD6A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002483A303450, 16 bytes long.
 Data: < &#202;/:H           > 98 CA 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002483A303270, 16 bytes long.
 Data: <p&#202;/:H           > 70 CA 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002483A303D60, 16 bytes long.
 Data: <H&#202;/:H           > 48 CA 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002483A303F90, 16 bytes long.
 Data: < &#202;/:H           > 20 CA 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002483A2FBE80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002483A303680, 16 bytes long.
 Data: <&#184;`.:H           > B8 60 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002483A2FD280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002483A303900, 16 bytes long.
 Data: < `.:H           > 90 60 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002483A303F40, 16 bytes long.
 Data: <h`.:H           > 68 60 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002483A303180, 16 bytes long.
 Data: <@`.:H           > 40 60 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002483A303540, 16 bytes long.
 Data: < `.:H           > 18 60 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002483A3032C0, 16 bytes long.
 Data: <&#240;_.:H           > F0 5F 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002483A3034F0, 16 bytes long.
 Data: <&#200;_.:H           > C8 5F 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002483A2FDA60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002483A303810, 16 bytes long.
 Data: <&#160;_.:H           > A0 5F 2E 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002483A2E5FA0, 320 bytes long.
 Data: < 80:H   `&#218;/:H   > 10 38 30 3A 48 02 00 00 60 DA 2F 3A 48 02 00 00 
{271} normal block at 0x000002483A3031D0, 16 bytes long.
 Data: < &#202;/:H           > 00 CA 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002483A3036D0, 16 bytes long.
 Data: <&#216;&#201;/:H           > D8 C9 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002483A2FDCA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002483A3037C0, 16 bytes long.
 Data: <&#176;&#201;/:H           > B0 C9 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002483A2FDB80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002483A303B80, 16 bytes long.
 Data: <&#248;&#200;/:H           > F8 C8 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002483A303630, 16 bytes long.
 Data: <&#208;&#200;/:H           > D0 C8 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002483A303EA0, 16 bytes long.
 Data: <&#168;&#200;/:H           > A8 C8 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002483A3035E0, 16 bytes long.
 Data: < &#200;/:H           > 80 C8 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002483A3038B0, 16 bytes long.
 Data: <X&#200;/:H           > 58 C8 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002483A303D10, 16 bytes long.
 Data: <0&#200;/:H           > 30 C8 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002483A303EF0, 16 bytes long.
 Data: < &#190;/:H           > 10 BE 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002483A2FBE10, 40 bytes long.
 Data: <&#240;>0:H   &#240;&#195;&#216;;H   > F0 3E 30 3A 48 02 00 00 F0 C3 D8 3B 48 02 00 00 
{257} normal block at 0x000002483A303A40, 16 bytes long.
 Data: < &#200;/:H           > 10 C8 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002483A303C20, 16 bytes long.
 Data: <&#232;&#199;/:H           > E8 C7 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002483A2FD1C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002483A3039F0, 16 bytes long.
 Data: <&#192;&#199;/:H           > C0 C7 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002483A2FC7C0, 992 bytes long.
 Data: <&#240;90:H   &#192;&#209;/:H   > F0 39 30 3A 48 02 00 00 C0 D1 2F 3A 48 02 00 00 
{89} normal block at 0x000002483A2FD3A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002483A2F7150, 16 bytes long.
 Data: <p&#187;/:H           > 70 BB 2F 3A 48 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002483A2FBB70, 40 bytes long.
 Data: <Pq/:H   &#160;&#211;/:H   > 50 71 2F 3A 48 02 00 00 A0 D3 2F 3A 48 02 00 00 
{66} normal block at 0x000002483A2F6FC0, 16 bytes long.
 Data: < &#234;&#166;R&#247;           > 80 EA A6 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002483A2F7470, 16 bytes long.
 Data: <@&#233;&#166;R&#247;           > 40 E9 A6 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002483A2F6700, 16 bytes long.
 Data: <&#248;W&#163;R&#247;           > F8 57 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002483A2F6B10, 16 bytes long.
 Data: <&#216;W&#163;R&#247;           > D8 57 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002483A2F6890, 16 bytes long.
 Data: <P &#163;R&#247;           > 50 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002483A2F6AC0, 16 bytes long.
 Data: <0 &#163;R&#247;           > 30 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002483A2F7010, 16 bytes long.
 Data: <&#224; &#163;R&#247;           > E0 02 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002483A2F6D90, 16 bytes long.
 Data: <  &#163;R&#247;           > 10 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002483A2F6750, 16 bytes long.
 Data: <p &#163;R&#247;           > 70 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002483A2F6C50, 16 bytes long.
 Data: < &#192;&#161;R&#247;           > 18 C0 A1 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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