Task 38697304

Name test_261-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2026_0
Workunit 31637888
Created 1 Nov 2026, 12:19:15 UTC
Sent 1 Nov 2026, 12:19:18 UTC
Report deadline 6 Nov 2026, 12:19:18 UTC
Received 1 Nov 2026, 13:17:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630874
Run time 53 min 20 sec
CPU time 50 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.36 MB
Peak swap size 8.40 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:25:05 (18680): wrapper (7.9.26016): starting
21:25:05 (18680): 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
21:25:06 (18680): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:25:06 (18680): 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\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 'C:\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
22:16:55 (18680): C:/Windows/system32/cmd.exe exited; CPU time 3000.484375
22:16:55 (18680): 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: 52113293 bytes.
Dumping objects ->
{3835992} normal block at 0x000001FDA1A4E900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835981} normal block at 0x000001FD9FAD4EC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835970} normal block at 0x000001FD9FAD4E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835959} normal block at 0x000001FD9FAD4DE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835948} normal block at 0x000001FD9FAD52B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835917} normal block at 0x000001FDA1A98050, 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) : {3835904} normal block at 0x000001FD9FACFBE0, 8 bytes long.
 Data: <  &#170;     > 00 00 AA 9F FD 01 00 00 
{3834065} normal block at 0x000001FD9FACED80, 8 bytes long.
 Data: <&#208;&#201;&#175;&#161;    > D0 C9 AF A1 FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001FD9FAD1820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FD9FAC6620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001FD9FAD5B20, 16 bytes long.
 Data: < i&#173;             > F8 69 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FD9FAD6610, 16 bytes long.
 Data: <&#208;i&#173;             > D0 69 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FD9FACDCF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001FD9FAD58A0, 16 bytes long.
 Data: <&#168;i&#173;             > A8 69 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FD9FAD5E90, 16 bytes long.
 Data: < i&#173;             > 80 69 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FD9FAD5DA0, 16 bytes long.
 Data: <Xi&#173;             > 58 69 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FD9FAD6200, 16 bytes long.
 Data: <0i&#173;             > 30 69 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FD9FAD4C20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001FD9FAD6480, 16 bytes long.
 Data: < &#184;&#171;             > F8 B8 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FD9FACD9F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001FD9FAD5800, 16 bytes long.
 Data: <&#208;&#184;&#171;             > D0 B8 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FD9FAD65C0, 16 bytes long.
 Data: <&#168;&#184;&#171;             > A8 B8 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD9FAD6570, 16 bytes long.
 Data: < &#184;&#171;             > 80 B8 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD9FAD5990, 16 bytes long.
 Data: <X&#184;&#171;             > 58 B8 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FD9FAD5760, 16 bytes long.
 Data: <0&#184;&#171;             > 30 B8 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FD9FAD62F0, 16 bytes long.
 Data: < &#184;&#171;             > 08 B8 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FD9FACD930, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001FD9FAD5A30, 16 bytes long.
 Data: < &#183;&#171;             > E0 B7 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FD9FABB7E0, 320 bytes long.
 Data: <0Z&#173;     0&#217;&#172;     > 30 5A AD 9F FD 01 00 00 30 D9 AC 9F FD 01 00 00 
{278} normal block at 0x000001FD9FAD6020, 16 bytes long.
 Data: < i&#173;             > 10 69 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FD9FAD5C60, 16 bytes long.
 Data: < h&#173;             > E8 68 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FD9FACD450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001FD9FAD5AD0, 16 bytes long.
 Data: <&#192;h&#173;             > C0 68 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FD9FACD2D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001FD9FAD5A80, 16 bytes long.
 Data: < h&#173;             > 08 68 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FD9FAD5850, 16 bytes long.
 Data: < g&#173;             > E0 67 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD9FAD6430, 16 bytes long.
 Data: <&#184;g&#173;             > B8 67 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FD9FAD6520, 16 bytes long.
 Data: < g&#173;             > 90 67 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD9FAD5FD0, 16 bytes long.
 Data: <hg&#173;             > 68 67 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FD9FAD5940, 16 bytes long.
 Data: <@g&#173;             > 40 67 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FD9FAD5F80, 16 bytes long.
 Data: < S&#173;             > 20 53 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FD9FAD5320, 40 bytes long.
 Data: < _&#173;     P &#169;&#161;    > 80 5F AD 9F FD 01 00 00 50 80 A9 A1 FD 01 00 00 
{264} normal block at 0x000001FD9FAD5D50, 16 bytes long.
 Data: < g&#173;             > 20 67 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FD9FAD5C10, 16 bytes long.
 Data: < f&#173;             > F8 66 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FD9FACDC90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001FD9FAD5710, 16 bytes long.
 Data: <&#208;f&#173;             > D0 66 AD 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FD9FAD66D0, 992 bytes long.
 Data: < W&#173;      &#220;&#172;     > 10 57 AD 9F FD 01 00 00 90 DC AC 9F FD 01 00 00 
{96} normal block at 0x000001FD9FACD3F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001FD9FACF320, 16 bytes long.
 Data: <  &#171;             > 80 E7 AB 9F FD 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001FD9FABE780, 40 bytes long.
 Data: <  &#172;      &#211;&#172;     > 20 F3 AC 9F FD 01 00 00 F0 D3 AC 9F FD 01 00 00 
{71} normal block at 0x000001FD9FACF640, 16 bytes long.
 Data: <  L1            > 80 EA 4C 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FD9FACECE0, 16 bytes long.
 Data: <@ L1            > 40 E9 4C 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FD9FACF5F0, 16 bytes long.
 Data: < WI1            > F8 57 49 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FD9FACF370, 16 bytes long.
 Data: <&#216;WI1            > D8 57 49 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FD9FACFB40, 16 bytes long.
 Data: <P I1            > 50 04 49 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FD9FACEDD0, 16 bytes long.
 Data: <0 I1            > 30 04 49 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FD9FACF5A0, 16 bytes long.
 Data: <  I1            > E0 02 49 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FD9FACF3C0, 16 bytes long.
 Data: <  I1            > 10 04 49 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FD9FACEC90, 16 bytes long.
 Data: <p I1            > 70 04 49 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FD9FACF410, 16 bytes long.
 Data: < &#192;G1            > 18 C0 47 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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