Task 38668717

Name test_169-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND5535_0
Workunit 31611171
Created 25 Oct 2026, 12:34:07 UTC
Sent 25 Oct 2026, 12:34:14 UTC
Report deadline 30 Oct 2026, 12:34:14 UTC
Received 25 Oct 2026, 15:42:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 574909
Run time 2 hours 34 min 52 sec
CPU time 2 hours 32 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.34 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:08:30 (23444): wrapper (7.9.26016): starting
08:08:30 (23444): 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
08:08:32 (23444): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:08:32 (23444): 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\0\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\0\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
10:41:54 (23444): C:/Windows/system32/cmd.exe exited; CPU time 9131.156250
10:41:54 (23444): 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: 148450551 bytes.
Dumping objects ->
{3835202} normal block at 0x0000022AA8F3D3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000022AA7245350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000022AA7245200, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000022AA7245190, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000022AA7244EF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000022AA8F88F90, 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) : {3835114} normal block at 0x0000022AA723D6E0, 8 bytes long.
 Data: <  ~&#167;*   > 00 00 7E A7 2A 02 00 00 
{3833965} normal block at 0x0000022AA723E360, 8 bytes long.
 Data: <&#160;&#218;"&#167;*   > A0 DA 22 A7 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022AA7241280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022AA72364D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000022AA72462D0, 16 bytes long.
 Data: <&#184;k$&#167;*           > B8 6B 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022AA7246230, 16 bytes long.
 Data: < k$&#167;*           > 90 6B 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022AA723FE10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000022AA7245E20, 16 bytes long.
 Data: <hk$&#167;*           > 68 6B 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022AA7245DD0, 16 bytes long.
 Data: <@k$&#167;*           > 40 6B 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022AA72458D0, 16 bytes long.
 Data: < k$&#167;*           > 18 6B 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022AA7246690, 16 bytes long.
 Data: <&#240;j$&#167;*           > F0 6A 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022AA7244CC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000022AA72465A0, 16 bytes long.
 Data: <X&#147;#&#167;*           > 58 93 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022AA723F750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000022AA72461E0, 16 bytes long.
 Data: <0&#147;#&#167;*           > 30 93 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022AA7246190, 16 bytes long.
 Data: < &#147;#&#167;*           > 08 93 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022AA7245D80, 16 bytes long.
 Data: <&#224;&#146;#&#167;*           > E0 92 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022AA7245D30, 16 bytes long.
 Data: <&#184;&#146;#&#167;*           > B8 92 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022AA7245CE0, 16 bytes long.
 Data: < &#146;#&#167;*           > 90 92 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022AA72460F0, 16 bytes long.
 Data: <h&#146;#&#167;*           > 68 92 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022AA723FC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000022AA72460A0, 16 bytes long.
 Data: <@&#146;#&#167;*           > 40 92 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022AA7239240, 320 bytes long.
 Data: <&#160;`$&#167;*    &#252;#&#167;*   > A0 60 24 A7 2A 02 00 00 90 FC 23 A7 2A 02 00 00 
{278} normal block at 0x0000022AA7245B00, 16 bytes long.
 Data: <&#208;j$&#167;*           > D0 6A 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022AA72467D0, 16 bytes long.
 Data: <&#168;j$&#167;*           > A8 6A 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022AA723F570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000022AA7246780, 16 bytes long.
 Data: < j$&#167;*           > 80 6A 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022AA723FF30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000022AA7246500, 16 bytes long.
 Data: <&#200;i$&#167;*           > C8 69 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022AA7245BF0, 16 bytes long.
 Data: <&#160;i$&#167;*           > A0 69 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022AA7245A60, 16 bytes long.
 Data: <xi$&#167;*           > 78 69 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022AA7245920, 16 bytes long.
 Data: <Pi$&#167;*           > 50 69 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022AA7245F10, 16 bytes long.
 Data: <(i$&#167;*           > 28 69 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022AA7246550, 16 bytes long.
 Data: < i$&#167;*           > 00 69 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022AA7246140, 16 bytes long.
 Data: < N$&#167;*           > 80 4E 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022AA7244E80, 40 bytes long.
 Data: <@a$&#167;*     &#248;&#168;*   > 40 61 24 A7 2A 02 00 00 90 8F F8 A8 2A 02 00 00 
{264} normal block at 0x0000022AA7246640, 16 bytes long.
 Data: <&#224;h$&#167;*           > E0 68 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022AA7245FB0, 16 bytes long.
 Data: <&#184;h$&#167;*           > B8 68 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022AA723FE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000022AA7245B50, 16 bytes long.
 Data: < h$&#167;*           > 90 68 24 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022AA7246890, 992 bytes long.
 Data: <P[$&#167;*   p&#254;#&#167;*   > 50 5B 24 A7 2A 02 00 00 70 FE 23 A7 2A 02 00 00 
{96} normal block at 0x0000022AA723F510, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000022AA723DB40, 16 bytes long.
 Data: < &#237;#&#167;*           > 00 ED 23 A7 2A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022AA723ED00, 40 bytes long.
 Data: <@&#219;#&#167;*    &#245;#&#167;*   > 40 DB 23 A7 2A 02 00 00 10 F5 23 A7 2A 02 00 00 
{73} normal block at 0x0000022AA723D500, 16 bytes long.
 Data: < &#234; &#241;&#247;           > 80 EA 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022AA723DD70, 16 bytes long.
 Data: <@&#233; &#241;&#247;           > 40 E9 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022AA723E090, 16 bytes long.
 Data: <&#248;W &#241;&#247;           > F8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022AA723D820, 16 bytes long.
 Data: <&#216;W &#241;&#247;           > D8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022AA723D5A0, 16 bytes long.
 Data: <P  &#241;&#247;           > 50 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022AA723D550, 16 bytes long.
 Data: <0  &#241;&#247;           > 30 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022AA723E310, 16 bytes long.
 Data: <&#224;  &#241;&#247;           > E0 02 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022AA723DC80, 16 bytes long.
 Data: <   &#241;&#247;           > 10 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022AA723DAF0, 16 bytes long.
 Data: <p  &#241;&#247;           > 70 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022AA723DF00, 16 bytes long.
 Data: < &#192; &#241;&#247;           > 18 C0 17 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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