Task 38683636

Name test_55-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9258_0
Workunit 31625187
Created 27 Oct 2026, 12:38:57 UTC
Sent 27 Oct 2026, 12:39:17 UTC
Report deadline 1 Nov 2026, 12:39:17 UTC
Received 27 Oct 2026, 13:17:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648841
Run time 17 min 29 sec
CPU time 16 min 30 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 763.61 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:00:21 (40236): wrapper (7.9.26016): starting
14:00:21 (40236): 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
14:00:22 (40236): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:00:22 (40236): 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
14:17:07 (40236): C:/Windows/system32/cmd.exe exited; CPU time 990.328125
14:17:07 (40236): 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: 24904995 bytes.
Dumping objects ->
{3835552} normal block at 0x000001229EBBCE40, 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 0x000001229EBBCAC0, 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 0x000001229CDE49E0, 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 0x000001229CDE4970, 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 0x000001229CDE5070, 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 0x000001229EC04A70, 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 0x000001229EC1EA80, 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 0x000001229CDDF930, 8 bytes long.
 Data: <  K "   > 00 00 4B 9D 22 01 00 00 
{3834688} normal block at 0x000001229EC1EB30, 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 0x000001229CDDF890, 8 bytes long.
 Data: <0&#223;&#193;&#158;"   > 30 DF C1 9E 22 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001229CDE1590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001229CDD64F0, 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 0x000001229CDE5710, 16 bytes long.
 Data: <hh&#222;&#156;"           > 68 68 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001229CDE5D00, 16 bytes long.
 Data: <@h&#222;&#156;"           > 40 68 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001229CDE0460, 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 0x000001229CDE55D0, 16 bytes long.
 Data: < h&#222;&#156;"           > 18 68 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001229CDE6110, 16 bytes long.
 Data: <&#240;g&#222;&#156;"           > F0 67 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001229CDE56C0, 16 bytes long.
 Data: <&#200;g&#222;&#156;"           > C8 67 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001229CDE5C60, 16 bytes long.
 Data: <&#160;g&#222;&#156;"           > A0 67 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001229CDE4BA0, 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 0x000001229CDE6480, 16 bytes long.
 Data: < &#183;&#220;&#156;"           > 08 B7 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001229CDE0100, 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 0x000001229CDE6430, 16 bytes long.
 Data: <&#224;&#182;&#220;&#156;"           > E0 B6 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001229CDE62F0, 16 bytes long.
 Data: <&#184;&#182;&#220;&#156;"           > B8 B6 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001229CDE5850, 16 bytes long.
 Data: < &#182;&#220;&#156;"           > 90 B6 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001229CDE5670, 16 bytes long.
 Data: <h&#182;&#220;&#156;"           > 68 B6 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001229CDE63E0, 16 bytes long.
 Data: <@&#182;&#220;&#156;"           > 40 B6 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001229CDE58A0, 16 bytes long.
 Data: < &#182;&#220;&#156;"           > 18 B6 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001229CDE01C0, 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 0x000001229CDE58F0, 16 bytes long.
 Data: <&#240;&#181;&#220;&#156;"           > F0 B5 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001229CDCB5F0, 320 bytes long.
 Data: <&#240;X&#222;&#156;"   &#192; &#222;&#156;"   > F0 58 DE 9C 22 01 00 00 C0 01 DE 9C 22 01 00 00 
{277} normal block at 0x000001229CDE6020, 16 bytes long.
 Data: < g&#222;&#156;"           > 80 67 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001229CDE5F80, 16 bytes long.
 Data: <Xg&#222;&#156;"           > 58 67 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001229CDDFB60, 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 0x000001229CDE5D50, 16 bytes long.
 Data: <0g&#222;&#156;"           > 30 67 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001229CDDFB00, 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 0x000001229CDE62A0, 16 bytes long.
 Data: <xf&#222;&#156;"           > 78 66 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001229CDE5580, 16 bytes long.
 Data: <Pf&#222;&#156;"           > 50 66 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001229CDE6390, 16 bytes long.
 Data: <(f&#222;&#156;"           > 28 66 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001229CDE5760, 16 bytes long.
 Data: < f&#222;&#156;"           > 00 66 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001229CDE5C10, 16 bytes long.
 Data: <&#216;e&#222;&#156;"           > D8 65 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001229CDE5990, 16 bytes long.
 Data: <&#176;e&#222;&#156;"           > B0 65 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001229CDE6200, 16 bytes long.
 Data: <PJ&#222;&#156;"           > 50 4A DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001229CDE4A50, 40 bytes long.
 Data: < b&#222;&#156;"   pJ&#192;&#158;"   > 00 62 DE 9C 22 01 00 00 70 4A C0 9E 22 01 00 00 
{263} normal block at 0x000001229CDE5B20, 16 bytes long.
 Data: < e&#222;&#156;"           > 90 65 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001229CDE5AD0, 16 bytes long.
 Data: <he&#222;&#156;"           > 68 65 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001229CDE0040, 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 0x000001229CDE5B70, 16 bytes long.
 Data: <@e&#222;&#156;"           > 40 65 DE 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001229CDE6540, 992 bytes long.
 Data: <p[&#222;&#156;"   @ &#222;&#156;"   > 70 5B DE 9C 22 01 00 00 40 00 DE 9C 22 01 00 00 
{95} normal block at 0x000001229CDE03A0, 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 0x000001229CDDF840, 16 bytes long.
 Data: <&#176;&#240;&#220;&#156;"           > B0 F0 DC 9C 22 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001229CDCF0B0, 40 bytes long.
 Data: <@&#248;&#221;&#156;"   &#160; &#222;&#156;"   > 40 F8 DD 9C 22 01 00 00 A0 03 DE 9C 22 01 00 00 
{72} normal block at 0x000001229CDDF7F0, 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 0x000001229CDDEF80, 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 0x000001229CDDF6B0, 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 0x000001229CDDF110, 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 0x000001229CDDF750, 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 0x000001229CDDED00, 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 0x000001229CDDEAD0, 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 0x000001229CDDF7A0, 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 0x000001229CDDF340, 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 0x000001229CDDF200, 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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