Task 38696649

Name test_873-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6637_0
Workunit 31637270
Created 1 Nov 2026, 2:55:02 UTC
Sent 1 Nov 2026, 2:55:05 UTC
Report deadline 6 Nov 2026, 2:55:05 UTC
Received 1 Nov 2026, 4:44:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615523
Run time 1 hours 26 min 22 sec
CPU time 1 hours 16 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.10 MB
Peak swap size 3.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:18:02 (10084): wrapper (7.9.26016): starting
20:18:02 (10084): 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
20:18:22 (10084): Library/usr/bin/tar.exe exited; CPU time 0.156250
20:18:22 (10084): 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 'F:\BOINC\slots\6\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 'F:\BOINC\slots\6\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
21:43:51 (10084): C:/Windows/system32/cmd.exe exited; CPU time 4597.656250
21:43:51 (10084): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 91273281 bytes.
Dumping objects ->
{3835513} normal block at 0x000001C97AC14DB0, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835502} normal block at 0x000001C97C8C5FD0, 32 bytes long.
 Data: <HOME=F:\BOINC\sl> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835491} normal block at 0x000001C97C8C6690, 32 bytes long.
 Data: <TMP=F:\BOINC\slo> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835480} normal block at 0x000001C97C8C6F90, 32 bytes long.
 Data: <TEMP=F:\BOINC\sl> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835469} normal block at 0x000001C97C8C5F70, 32 bytes long.
 Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C 
{3835438} normal block at 0x000001C97AC14C60, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835425} normal block at 0x000001C97AC0F880, 8 bytes long.
 Data: <   {&#201;   > 00 00 16 7B C9 01 00 00 
{3833955} normal block at 0x000001C97AC0F380, 8 bytes long.
 Data: < &#234;&#206;z&#201;   > 90 EA CE 7A C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C97AC0DF80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C97ABFEA10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001C97AC16730, 16 bytes long.
 Data: <H[&#193;z&#201;           > 48 5B C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C97AC16690, 16 bytes long.
 Data: < [&#193;z&#201;           > 20 5B C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C97AC10C00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001C97AC16550, 16 bytes long.
 Data: <&#248;Z&#193;z&#201;           > F8 5A C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C97AC15EC0, 16 bytes long.
 Data: <&#208;Z&#193;z&#201;           > D0 5A C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C97AC165F0, 16 bytes long.
 Data: <&#168;Z&#193;z&#201;           > A8 5A C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C97AC15C90, 16 bytes long.
 Data: < Z&#193;z&#201;           > 80 5A C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C97AC15130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001C97AC16370, 16 bytes long.
 Data: <&#248;&#184;&#191;z&#201;           > F8 B8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C97AC10BA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001C97AC168C0, 16 bytes long.
 Data: <&#208;&#184;&#191;z&#201;           > D0 B8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C97AC162D0, 16 bytes long.
 Data: <&#168;&#184;&#191;z&#201;           > A8 B8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C97AC165A0, 16 bytes long.
 Data: < &#184;&#191;z&#201;           > 80 B8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C97AC16870, 16 bytes long.
 Data: <X&#184;&#191;z&#201;           > 58 B8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C97AC161E0, 16 bytes long.
 Data: <0&#184;&#191;z&#201;           > 30 B8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C97AC15F60, 16 bytes long.
 Data: < &#184;&#191;z&#201;           > 08 B8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C97AC109C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001C97AC16BE0, 16 bytes long.
 Data: <&#224;&#183;&#191;z&#201;           > E0 B7 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C97ABFB7E0, 320 bytes long.
 Data: <&#224;k&#193;z&#201;   &#192;	&#193;z&#201;   > E0 6B C1 7A C9 01 00 00 C0 09 C1 7A C9 01 00 00 
{273} normal block at 0x000001C97AC16640, 16 bytes long.
 Data: <`Z&#193;z&#201;           > 60 5A C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C97AC15E20, 16 bytes long.
 Data: <8Z&#193;z&#201;           > 38 5A C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C97AC10960, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001C97AC16AF0, 16 bytes long.
 Data: < Z&#193;z&#201;           > 10 5A C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C97AC10B40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001C97AC16190, 16 bytes long.
 Data: <XY&#193;z&#201;           > 58 59 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C97AC16230, 16 bytes long.
 Data: <0Y&#193;z&#201;           > 30 59 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C97AC16B90, 16 bytes long.
 Data: < Y&#193;z&#201;           > 08 59 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C97AC15DD0, 16 bytes long.
 Data: <&#224;X&#193;z&#201;           > E0 58 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C97AC167D0, 16 bytes long.
 Data: <&#184;X&#193;z&#201;           > B8 58 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C97AC0F2E0, 16 bytes long.
 Data: < X&#193;z&#201;           > 90 58 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C97AC0F290, 16 bytes long.
 Data: < R&#193;z&#201;           > 80 52 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C97AC15280, 40 bytes long.
 Data: < &#242;&#192;z&#201;   `L&#193;z&#201;   > 90 F2 C0 7A C9 01 00 00 60 4C C1 7A C9 01 00 00 
{259} normal block at 0x000001C97AC0F150, 16 bytes long.
 Data: <pX&#193;z&#201;           > 70 58 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C97AC0F0B0, 16 bytes long.
 Data: <HX&#193;z&#201;           > 48 58 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C97AC10AE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001C97AC0EF20, 16 bytes long.
 Data: < X&#193;z&#201;           > 20 58 C1 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C97AC15820, 992 bytes long.
 Data: < &#239;&#192;z&#201;   &#224; &#193;z&#201;   > 20 EF C0 7A C9 01 00 00 E0 0A C1 7A C9 01 00 00 
{91} normal block at 0x000001C97AC0FFA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001C97AC0FBA0, 16 bytes long.
 Data: <`&#248;&#191;z&#201;           > 60 F8 BF 7A C9 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001C97ABFF860, 40 bytes long.
 Data: <&#160;&#251;&#192;z&#201;   &#160;&#255;&#192;z&#201;   > A0 FB C0 7A C9 01 00 00 A0 FF C0 7A C9 01 00 00 
{68} normal block at 0x000001C97AC0F7E0, 16 bytes long.
 Data: < &#234;7U&#247;           > 80 EA 37 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C97AC0F830, 16 bytes long.
 Data: <@&#233;7U&#247;           > 40 E9 37 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C97AC0EF70, 16 bytes long.
 Data: <&#248;W4U&#247;           > F8 57 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C97AC0FB50, 16 bytes long.
 Data: <&#216;W4U&#247;           > D8 57 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C97AC0F790, 16 bytes long.
 Data: <P 4U&#247;           > 50 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C97AC0F6A0, 16 bytes long.
 Data: <0 4U&#247;           > 30 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C97AC0F330, 16 bytes long.
 Data: <&#224; 4U&#247;           > E0 02 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C97AC0F6F0, 16 bytes long.
 Data: <  4U&#247;           > 10 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C97AC0F970, 16 bytes long.
 Data: <p 4U&#247;           > 70 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C97AC0FAB0, 16 bytes long.
 Data: < &#192;2U&#247;           > 18 C0 32 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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