Task 38683073

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND4691_0
Workunit 31624653
Created 27 Oct 2026, 10:20:33 UTC
Sent 27 Oct 2026, 10:20:34 UTC
Report deadline 1 Nov 2026, 10:20:34 UTC
Received 27 Oct 2026, 11:30:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648841
Run time 17 min 3 sec
CPU time 15 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,709.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.83 MB
Peak swap size 13.05 GB
Peak disk usage 3.51 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:13:20 (1320): wrapper (7.9.26016): starting
12:13:20 (1320): 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
12:13:21 (1320): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:13:21 (1320): 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\23\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\23\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
12:29:44 (1320): C:/Windows/system32/cmd.exe exited; CPU time 947.515625
12:29:44 (1320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 23636107 bytes.
Dumping objects ->
{3835552} normal block at 0x000001C942C6D4D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835541} normal block at 0x000001C942C6CEB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835530} normal block at 0x000001C940F54E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835519} normal block at 0x000001C940F54DD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001C940F54D60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835477} normal block at 0x000001C942CB6B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x000001C942CCEA70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835463} normal block at 0x000001C940F4F7A0, 8 bytes long.
 Data: <  &#237;@&#201;   > 00 00 ED 40 C9 01 00 00 
{3834688} normal block at 0x000001C942CCE4F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001C940F4F020, 8 bytes long.
 Data: <&#192;&#221;&#204;B&#201;   > C0 DD CC 42 C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C940F516D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C940F46730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001C940F558F0, 16 bytes long.
 Data: <hh&#245;@&#201;           > 68 68 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C940F56390, 16 bytes long.
 Data: <@h&#245;@&#201;           > 40 68 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C940F4FC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001C940F558A0, 16 bytes long.
 Data: < h&#245;@&#201;           > 18 68 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C940F55C10, 16 bytes long.
 Data: <&#240;g&#245;@&#201;           > F0 67 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C940F560C0, 16 bytes long.
 Data: <&#200;g&#245;@&#201;           > C8 67 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C940F55E40, 16 bytes long.
 Data: <&#160;g&#245;@&#201;           > A0 67 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C940F54EB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001C940F55B20, 16 bytes long.
 Data: <8&#232;&#243;@&#201;           > 38 E8 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C940F50700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001C940F55800, 16 bytes long.
 Data: < &#232;&#243;@&#201;           > 10 E8 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C940F55940, 16 bytes long.
 Data: <&#232;&#231;&#243;@&#201;           > E8 E7 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C940F559E0, 16 bytes long.
 Data: <&#192;&#231;&#243;@&#201;           > C0 E7 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C940F55620, 16 bytes long.
 Data: < &#231;&#243;@&#201;           > 98 E7 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C940F564D0, 16 bytes long.
 Data: <p&#231;&#243;@&#201;           > 70 E7 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C940F55670, 16 bytes long.
 Data: <H&#231;&#243;@&#201;           > 48 E7 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C940F4FFE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001C940F55710, 16 bytes long.
 Data: < &#231;&#243;@&#201;           > 20 E7 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C940F3E720, 320 bytes long.
 Data: < W&#245;@&#201;   &#224;&#255;&#244;@&#201;   > 10 57 F5 40 C9 01 00 00 E0 FF F4 40 C9 01 00 00 
{277} normal block at 0x000001C940F55760, 16 bytes long.
 Data: < g&#245;@&#201;           > 80 67 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C940F55A80, 16 bytes long.
 Data: <Xg&#245;@&#201;           > 58 67 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C940F50400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001C940F55990, 16 bytes long.
 Data: <0g&#245;@&#201;           > 30 67 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C940F50100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001C940F55850, 16 bytes long.
 Data: <xf&#245;@&#201;           > 78 66 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C940F556C0, 16 bytes long.
 Data: <Pf&#245;@&#201;           > 50 66 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C940F56340, 16 bytes long.
 Data: <(f&#245;@&#201;           > 28 66 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C940F55A30, 16 bytes long.
 Data: < f&#245;@&#201;           > 00 66 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C940F563E0, 16 bytes long.
 Data: <&#216;e&#245;@&#201;           > D8 65 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C940F55DA0, 16 bytes long.
 Data: <&#176;e&#245;@&#201;           > B0 65 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C940F55AD0, 16 bytes long.
 Data: <&#224;I&#245;@&#201;           > E0 49 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C940F549E0, 40 bytes long.
 Data: <&#208;Z&#245;@&#201;    k&#203;B&#201;   > D0 5A F5 40 C9 01 00 00 80 6B CB 42 C9 01 00 00 
{263} normal block at 0x000001C940F555D0, 16 bytes long.
 Data: < e&#245;@&#201;           > 90 65 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C940F56110, 16 bytes long.
 Data: <he&#245;@&#201;           > 68 65 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C940F4FB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001C940F55EE0, 16 bytes long.
 Data: <@e&#245;@&#201;           > 40 65 F5 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C940F56540, 992 bytes long.
 Data: <&#224;^&#245;@&#201;   `&#251;&#244;@&#201;   > E0 5E F5 40 C9 01 00 00 60 FB F4 40 C9 01 00 00 
{95} normal block at 0x000001C940F503A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001C940F4EF80, 16 bytes long.
 Data: <@&#213;&#243;@&#201;           > 40 D5 F3 40 C9 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001C940F3D540, 40 bytes long.
 Data: < &#239;&#244;@&#201;   &#160; &#245;@&#201;   > 80 EF F4 40 C9 01 00 00 A0 03 F5 40 C9 01 00 00 
{72} normal block at 0x000001C940F4F520, 16 bytes long.
 Data: < &#234;&#161;&#241;&#247;           > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C940F4F980, 16 bytes long.
 Data: <@&#233;&#161;&#241;&#247;           > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C940F4F160, 16 bytes long.
 Data: <&#248;W&#158;&#241;&#247;           > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C940F4ED00, 16 bytes long.
 Data: <&#216;W&#158;&#241;&#247;           > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C940F4F4D0, 16 bytes long.
 Data: <P &#158;&#241;&#247;           > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C940F4F390, 16 bytes long.
 Data: <0 &#158;&#241;&#247;           > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C940F4EE90, 16 bytes long.
 Data: <&#224; &#158;&#241;&#247;           > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C940F4EF30, 16 bytes long.
 Data: <  &#158;&#241;&#247;           > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C940F4F2F0, 16 bytes long.
 Data: <p &#158;&#241;&#247;           > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C940F4EB70, 16 bytes long.
 Data: < &#192;&#156;&#241;&#247;           > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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