Task 38650374

Name test_636-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND6062_0
Workunit 31594882
Created 23 Oct 2026, 23:20:09 UTC
Sent 23 Oct 2026, 23:37:10 UTC
Report deadline 28 Oct 2026, 23:37:10 UTC
Received 24 Oct 2026, 0:27:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629480
Run time 26 min 45 sec
CPU time 24 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.68 MB
Peak swap size 9.91 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:01:21 (37164): wrapper (7.9.26016): starting
19:01:21 (37164): 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
19:01:22 (37164): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:01:22 (37164): 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\1\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\1\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
19:26:55 (37164): C:/Windows/system32/cmd.exe exited; CPU time 1495.984375
19:26:55 (37164): 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: 33482611 bytes.
Dumping objects ->
{3835519} normal block at 0x000001D576249000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001D5762494D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001D576248D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000001D5744E4750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001D5744E46E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000001D576255780, 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) : {3835431} normal block at 0x000001D5744DEED0, 8 bytes long.
 Data: <   t&#213;   > 00 00 99 74 D5 01 00 00 
{3833959} normal block at 0x000001D5744DEDE0, 8 bytes long.
 Data: <&#160;Y+v&#213;   > A0 59 2B 76 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D5744E1300, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D5744D6BD0, 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 0x000001D5744E5A70, 16 bytes long.
 Data: <&#216;eNt&#213;           > D8 65 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D5744E5CA0, 16 bytes long.
 Data: <&#176;eNt&#213;           > B0 65 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D5744E0530, 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 0x000001D5744E5A20, 16 bytes long.
 Data: < eNt&#213;           > 88 65 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D5744E61F0, 16 bytes long.
 Data: <`eNt&#213;           > 60 65 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D5744E6010, 16 bytes long.
 Data: <8eNt&#213;           > 38 65 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D5744E58E0, 16 bytes long.
 Data: < eNt&#213;           > 10 65 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D5744E49F0, 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 0x000001D5744E6240, 16 bytes long.
 Data: <&#232;&#181;Lt&#213;           > E8 B5 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D5744E0650, 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 0x000001D5744E5980, 16 bytes long.
 Data: <&#192;&#181;Lt&#213;           > C0 B5 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D5744E5F70, 16 bytes long.
 Data: < &#181;Lt&#213;           > 98 B5 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D5744E5B60, 16 bytes long.
 Data: <p&#181;Lt&#213;           > 70 B5 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D5744E5570, 16 bytes long.
 Data: <H&#181;Lt&#213;           > 48 B5 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D5744E5930, 16 bytes long.
 Data: < &#181;Lt&#213;           > 20 B5 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D5744E5480, 16 bytes long.
 Data: <&#248;&#180;Lt&#213;           > F8 B4 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D5744DFC30, 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 0x000001D5744E5E30, 16 bytes long.
 Data: <&#208;&#180;Lt&#213;           > D0 B4 4C 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D5744CB4D0, 320 bytes long.
 Data: <0^Nt&#213;   0&#252;Mt&#213;   > 30 5E 4E 74 D5 01 00 00 30 FC 4D 74 D5 01 00 00 
{275} normal block at 0x000001D5744E5F20, 16 bytes long.
 Data: <&#240;dNt&#213;           > F0 64 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D5744E57F0, 16 bytes long.
 Data: <&#200;dNt&#213;           > C8 64 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D5744DFBD0, 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 0x000001D5744E61A0, 16 bytes long.
 Data: <&#160;dNt&#213;           > A0 64 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D5744E00B0, 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 0x000001D5744E54D0, 16 bytes long.
 Data: <&#232;cNt&#213;           > E8 63 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D5744E5B10, 16 bytes long.
 Data: <&#192;cNt&#213;           > C0 63 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D5744E5AC0, 16 bytes long.
 Data: < cNt&#213;           > 98 63 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D5744E5ED0, 16 bytes long.
 Data: <pcNt&#213;           > 70 63 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D5744E5C50, 16 bytes long.
 Data: <HcNt&#213;           > 48 63 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D5744E5890, 16 bytes long.
 Data: < cNt&#213;           > 20 63 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D5744E55C0, 16 bytes long.
 Data: <pMNt&#213;           > 70 4D 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D5744E4D70, 40 bytes long.
 Data: <&#192;UNt&#213;    W%v&#213;   > C0 55 4E 74 D5 01 00 00 80 57 25 76 D5 01 00 00 
{261} normal block at 0x000001D5744E5E80, 16 bytes long.
 Data: < cNt&#213;           > 00 63 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D5744E5BB0, 16 bytes long.
 Data: <&#216;bNt&#213;           > D8 62 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D5744DFD50, 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 0x000001D5744E6150, 16 bytes long.
 Data: <&#176;bNt&#213;           > B0 62 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D5744E62B0, 992 bytes long.
 Data: <PaNt&#213;   P&#253;Mt&#213;   > 50 61 4E 74 D5 01 00 00 50 FD 4D 74 D5 01 00 00 
{93} normal block at 0x000001D5744DFAB0, 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 0x000001D5744DF510, 16 bytes long.
 Data: <`JNt&#213;           > 60 4A 4E 74 D5 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001D5744E4A60, 40 bytes long.
 Data: < &#245;Mt&#213;   &#176;&#250;Mt&#213;   > 10 F5 4D 74 D5 01 00 00 B0 FA 4D 74 D5 01 00 00 
{70} normal block at 0x000001D5744DED90, 16 bytes long.
 Data: < &#234; &#160;&#247;           > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D5744DEC00, 16 bytes long.
 Data: <@&#233; &#160;&#247;           > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D5744DE890, 16 bytes long.
 Data: <&#248;W &#160;&#247;           > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D5744DEAC0, 16 bytes long.
 Data: <&#216;W &#160;&#247;           > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D5744DED40, 16 bytes long.
 Data: <P  &#160;&#247;           > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D5744DEBB0, 16 bytes long.
 Data: <0  &#160;&#247;           > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D5744DECF0, 16 bytes long.
 Data: <&#224;  &#160;&#247;           > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D5744DF290, 16 bytes long.
 Data: <   &#160;&#247;           > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D5744DEE30, 16 bytes long.
 Data: <p  &#160;&#247;           > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D5744DF380, 16 bytes long.
 Data: < &#192; &#160;&#247;           > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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