Task 38677379

Name test_259-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0641_0
Workunit 31619253
Created 26 Oct 2026, 14:10:30 UTC
Sent 26 Oct 2026, 14:10:34 UTC
Report deadline 31 Oct 2026, 14:10:34 UTC
Received 26 Oct 2026, 15:44:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 34 min 34 sec
CPU time 34 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.27 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:12:16 (45120): wrapper (7.9.26016): starting
08:12:16 (45120): 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
08:12:17 (45120): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:12:17 (45120): 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\7\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\7\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
08:43:38 (45120): C:/Windows/system32/cmd.exe exited; CPU time 2074.046875
08:43:38 (45120): 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: 32348421 bytes.
Dumping objects ->
{3835233} normal block at 0x000001D99BEE1100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001D99BEE0990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001D99BEE1330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x000001D99BEE1170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x000001D99BEE0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x000001D99BF8D080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x000001D99BFEE040, 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) : {3835144} normal block at 0x000001D99A317270, 8 bytes long.
 Data: <  &#201;&#155;&#217;   > 00 00 C9 9B D9 01 00 00 
{3834540} normal block at 0x000001D99BFEE250, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001D99A317900, 8 bytes long.
 Data: <P&#235;?&#154;&#217;   > 50 EB 3F 9A D9 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D99A320900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D99A30BBF0, 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 0x000001D99A322520, 16 bytes long.
 Data: <H?2&#154;&#217;           > 48 3F 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D99A321940, 16 bytes long.
 Data: < ?2&#154;&#217;           > 20 3F 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D99A31C590, 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 0x000001D99A3218F0, 16 bytes long.
 Data: <&#248;>2&#154;&#217;           > F8 3E 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D99A3219E0, 16 bytes long.
 Data: <&#208;>2&#154;&#217;           > D0 3E 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D99A322430, 16 bytes long.
 Data: <&#168;>2&#154;&#217;           > A8 3E 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D99A3223E0, 16 bytes long.
 Data: < >2&#154;&#217;           > 80 3E 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D99A31D560, 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 0x000001D99A321EE0, 16 bytes long.
 Data: <&#216;&#176;0&#154;&#217;           > D8 B0 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D99A31C350, 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 0x000001D99A321BC0, 16 bytes long.
 Data: <&#176;&#176;0&#154;&#217;           > B0 B0 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D99A322390, 16 bytes long.
 Data: < &#176;0&#154;&#217;           > 88 B0 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D99A322340, 16 bytes long.
 Data: <`&#176;0&#154;&#217;           > 60 B0 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D99A3222F0, 16 bytes long.
 Data: <8&#176;0&#154;&#217;           > 38 B0 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D99A3222A0, 16 bytes long.
 Data: < &#176;0&#154;&#217;           > 10 B0 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D99A322570, 16 bytes long.
 Data: <&#232;&#175;0&#154;&#217;           > E8 AF 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D99A31BB70, 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 0x000001D99A3224D0, 16 bytes long.
 Data: <&#192;&#175;0&#154;&#217;           > C0 AF 30 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D99A30AFC0, 320 bytes long.
 Data: <&#208;$2&#154;&#217;   p&#187;1&#154;&#217;   > D0 24 32 9A D9 01 00 00 70 BB 31 9A D9 01 00 00 
{275} normal block at 0x000001D99A321850, 16 bytes long.
 Data: <`>2&#154;&#217;           > 60 3E 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D99A321AD0, 16 bytes long.
 Data: <8>2&#154;&#217;           > 38 3E 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D99A31BB10, 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 0x000001D99A322200, 16 bytes long.
 Data: < >2&#154;&#217;           > 10 3E 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D99A31B930, 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 0x000001D99A322750, 16 bytes long.
 Data: <X=2&#154;&#217;           > 58 3D 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D99A321B70, 16 bytes long.
 Data: <0=2&#154;&#217;           > 30 3D 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D99A321A30, 16 bytes long.
 Data: < =2&#154;&#217;           > 08 3D 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D99A322610, 16 bytes long.
 Data: <&#224;<2&#154;&#217;           > E0 3C 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D99A322160, 16 bytes long.
 Data: <&#184;<2&#154;&#217;           > B8 3C 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D99A321FD0, 16 bytes long.
 Data: < <2&#154;&#217;           > 90 3C 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D99A321F80, 16 bytes long.
 Data: <&#192;&#210;1&#154;&#217;           > C0 D2 31 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D99A31D2C0, 40 bytes long.
 Data: <  2&#154;&#217;    &#208;&#248;&#155;&#217;   > 80 1F 32 9A D9 01 00 00 80 D0 F8 9B D9 01 00 00 
{261} normal block at 0x000001D99A322700, 16 bytes long.
 Data: <p<2&#154;&#217;           > 70 3C 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D99A322110, 16 bytes long.
 Data: <H<2&#154;&#217;           > 48 3C 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D99A31B990, 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 0x000001D99A322070, 16 bytes long.
 Data: < <2&#154;&#217;           > 20 3C 32 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D99A323C20, 992 bytes long.
 Data: <p 2&#154;&#217;    &#185;1&#154;&#217;   > 70 20 32 9A D9 01 00 00 90 B9 31 9A D9 01 00 00 
{93} normal block at 0x000001D99A31BFF0, 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 0x000001D99A3171D0, 16 bytes long.
 Data: < &#212;1&#154;&#217;           > 10 D4 31 9A D9 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001D99A31D410, 40 bytes long.
 Data: <&#208;q1&#154;&#217;   &#240;&#191;1&#154;&#217;   > D0 71 31 9A D9 01 00 00 F0 BF 31 9A D9 01 00 00 
{70} normal block at 0x000001D99A316A50, 16 bytes long.
 Data: < &#234; &#245;&#247;           > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D99A316D20, 16 bytes long.
 Data: <@&#233; &#245;&#247;           > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D99A316C80, 16 bytes long.
 Data: <&#248;W&#253;&#244;&#247;           > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D99A317400, 16 bytes long.
 Data: <&#216;W&#253;&#244;&#247;           > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D99A3178B0, 16 bytes long.
 Data: <P &#253;&#244;&#247;           > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D99A316BE0, 16 bytes long.
 Data: <0 &#253;&#244;&#247;           > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D99A317860, 16 bytes long.
 Data: <&#224; &#253;&#244;&#247;           > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D99A317770, 16 bytes long.
 Data: <  &#253;&#244;&#247;           > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D99A316D70, 16 bytes long.
 Data: <p &#253;&#244;&#247;           > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D99A316AF0, 16 bytes long.
 Data: < &#192;&#251;&#244;&#247;           > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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