Task 38678725

Name test_658-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9199_1
Workunit 31620517
Created 26 Oct 2026, 18:17:39 UTC
Sent 26 Oct 2026, 18:17:47 UTC
Report deadline 31 Oct 2026, 18:17:47 UTC
Received 26 Oct 2026, 19:34:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 19 min 4 sec
CPU time 17 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.83 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:15:43 (45460): wrapper (7.9.26016): starting
14:15:43 (45460): 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
14:15:44 (45460): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:15:44 (45460): 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\12\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\12\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: Exiting with failure status due to previous errors
14:33:47 (45460): C:/Windows/system32/cmd.exe exited; CPU time 1058.046875
14:33:47 (45460): 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: 20655323 bytes.
Dumping objects ->
{3835249} normal block at 0x000001566E34CF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001566C6852B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001566C6851D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x000001566C684FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001566C685240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x000001566E3956F0, 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) : {3835161} normal block at 0x000001566C67F210, 8 bytes long.
 Data: <  elV   > 00 00 65 6C 56 01 00 00 
{3833961} normal block at 0x000001566C67E8B0, 8 bytes long.
 Data: <p[BnV   > 70 5B 42 6E 56 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001566C680B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001566C6706C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001566C6861A0, 16 bytes long.
 Data: < ghlV           > 18 67 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001566C686150, 16 bytes long.
 Data: <&#240;fhlV           > F0 66 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001566C67FF30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001566C685E80, 16 bytes long.
 Data: <&#200;fhlV           > C8 66 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001566C685E30, 16 bytes long.
 Data: <&#160;fhlV           > A0 66 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001566C685ED0, 16 bytes long.
 Data: <xfhlV           > 78 66 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001566C6854D0, 16 bytes long.
 Data: <PfhlV           > 50 66 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001566C684D00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001566C685F20, 16 bytes long.
 Data: <H&#181;flV           > 48 B5 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001566C680530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001566C685610, 16 bytes long.
 Data: < &#181;flV           > 20 B5 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001566C685480, 16 bytes long.
 Data: <&#248;&#180;flV           > F8 B4 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001566C685840, 16 bytes long.
 Data: <&#208;&#180;flV           > D0 B4 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001566C6855C0, 16 bytes long.
 Data: <&#168;&#180;flV           > A8 B4 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001566C685DE0, 16 bytes long.
 Data: < &#180;flV           > 80 B4 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001566C685D90, 16 bytes long.
 Data: <X&#180;flV           > 58 B4 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001566C67FAB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001566C685FC0, 16 bytes long.
 Data: <0&#180;flV           > 30 B4 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001566C66B430, 320 bytes long.
 Data: <&#192;_hlV   &#176;&#250;glV   > C0 5F 68 6C 56 01 00 00 B0 FA 67 6C 56 01 00 00 
{276} normal block at 0x000001566C685F70, 16 bytes long.
 Data: <0fhlV           > 30 66 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001566C686010, 16 bytes long.
 Data: < fhlV           > 08 66 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001566C67F870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001566C686380, 16 bytes long.
 Data: <&#224;ehlV           > E0 65 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001566C6800B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001566C685D40, 16 bytes long.
 Data: <(ehlV           > 28 65 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001566C685CA0, 16 bytes long.
 Data: < ehlV           > 00 65 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001566C685A70, 16 bytes long.
 Data: <&#216;dhlV           > D8 64 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001566C685980, 16 bytes long.
 Data: <&#176;dhlV           > B0 64 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001566C686100, 16 bytes long.
 Data: < dhlV           > 88 64 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001566C685CF0, 16 bytes long.
 Data: <`dhlV           > 60 64 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001566C685430, 16 bytes long.
 Data: < PhlV           > 80 50 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001566C685080, 40 bytes long.
 Data: <0ThlV   &#240;V9nV   > 30 54 68 6C 56 01 00 00 F0 56 39 6E 56 01 00 00 
{262} normal block at 0x000001566C686060, 16 bytes long.
 Data: <@dhlV           > 40 64 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001566C685750, 16 bytes long.
 Data: < dhlV           > 18 64 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001566C6802F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001566C685BB0, 16 bytes long.
 Data: <&#240;chlV           > F0 63 68 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001566C6863F0, 992 bytes long.
 Data: <&#176;[hlV   &#240; hlV   > B0 5B 68 6C 56 01 00 00 F0 02 68 6C 56 01 00 00 
{94} normal block at 0x000001566C680770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001566C67F3A0, 16 bytes long.
 Data: < &#237;flV           > 80 ED 66 6C 56 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001566C66ED80, 40 bytes long.
 Data: <&#160;&#243;glV   p hlV   > A0 F3 67 6C 56 01 00 00 70 07 68 6C 56 01 00 00 
{71} normal block at 0x000001566C67E860, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001566C67E9A0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001566C67EA40, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001566C67F120, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001566C67F030, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001566C67E950, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001566C67EAE0, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001566C67F7B0, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001566C67EF40, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001566C67E900, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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