Task 38679846

Name test_975-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4681_0
Workunit 31621606
Created 26 Oct 2026, 21:58:37 UTC
Sent 26 Oct 2026, 21:58:42 UTC
Report deadline 31 Oct 2026, 21:58:42 UTC
Received 26 Oct 2026, 23:02:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 2 min 43 sec
CPU time 57 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 656.20 MB
Peak swap size 2.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:01:20 (27552): wrapper (7.9.26016): starting
00:01:20 (27552): 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
00:01:23 (27552): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:01:23 (27552): 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\8\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\8\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
01:01:42 (27552): C:/Windows/system32/cmd.exe exited; CPU time 3451.718750
01:01:42 (27552): 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: 56677297 bytes.
Dumping objects ->
{3835257} normal block at 0x000001E025F10F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001E025F10A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001E025F11020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x000001E025F11640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001E025F10D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x000001E02605C0F0, 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) : {3835169} normal block at 0x000001E0245984C0, 8 bytes long.
 Data: <  M$&#224;   > 00 00 4D 24 E0 01 00 00 
{3833951} normal block at 0x000001E024597D90, 8 bytes long.
 Data: <&#208; &#254;%&#224;   > D0 10 FE 25 E0 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001E0245A1650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E02458AFB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001E0245A2460, 16 bytes long.
 Data: <H;Z$&#224;           > 48 3B 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E0245A2820, 16 bytes long.
 Data: < ;Z$&#224;           > 20 3B 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E02459E9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001E0245A2D20, 16 bytes long.
 Data: <&#248;:Z$&#224;           > F8 3A 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E0245A3270, 16 bytes long.
 Data: <&#208;:Z$&#224;           > D0 3A 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E0245A2E60, 16 bytes long.
 Data: <&#168;:Z$&#224;           > A8 3A 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E0245A3220, 16 bytes long.
 Data: < :Z$&#224;           > 80 3A 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E02459CA40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001E0245A2F50, 16 bytes long.
 Data: <&#184;`X$&#224;           > B8 60 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E02459E950, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001E0245A2EB0, 16 bytes long.
 Data: < `X$&#224;           > 90 60 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E0245A31D0, 16 bytes long.
 Data: <h`X$&#224;           > 68 60 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E0245A3180, 16 bytes long.
 Data: <@`X$&#224;           > 40 60 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E0245A2B40, 16 bytes long.
 Data: < `X$&#224;           > 18 60 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E0245A2AF0, 16 bytes long.
 Data: <&#240;_X$&#224;           > F0 5F 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E0245A2AA0, 16 bytes long.
 Data: <&#200;_X$&#224;           > C8 5F 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E02459E230, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001E0245A2BE0, 16 bytes long.
 Data: <&#160;_X$&#224;           > A0 5F 58 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E024585FA0, 320 bytes long.
 Data: <&#224;+Z$&#224;   0&#226;Y$&#224;   > E0 2B 5A 24 E0 01 00 00 30 E2 59 24 E0 01 00 00 
{271} normal block at 0x000001E0245A3130, 16 bytes long.
 Data: <`:Z$&#224;           > 60 3A 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E0245A2C80, 16 bytes long.
 Data: <8:Z$&#224;           > 38 3A 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E02459ED70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001E0245A3090, 16 bytes long.
 Data: < :Z$&#224;           > 10 3A 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E02459E8F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001E0245A2910, 16 bytes long.
 Data: <X9Z$&#224;           > 58 39 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E0245A25F0, 16 bytes long.
 Data: <09Z$&#224;           > 30 39 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E0245A25A0, 16 bytes long.
 Data: < 9Z$&#224;           > 08 39 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E0245A2500, 16 bytes long.
 Data: <&#224;8Z$&#224;           > E0 38 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E0245A3040, 16 bytes long.
 Data: <&#184;8Z$&#224;           > B8 38 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E0245A2CD0, 16 bytes long.
 Data: < 8Z$&#224;           > 90 38 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E0245A26E0, 16 bytes long.
 Data: <&#192;&#205;Y$&#224;           > C0 CD 59 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E02459CDC0, 40 bytes long.
 Data: <&#224;&Z$&#224;   &#240;&#192; &&#224;   > E0 26 5A 24 E0 01 00 00 F0 C0 05 26 E0 01 00 00 
{257} normal block at 0x000001E0245A2690, 16 bytes long.
 Data: <p8Z$&#224;           > 70 38 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E0245A30E0, 16 bytes long.
 Data: <H8Z$&#224;           > 48 38 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E02459E1D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001E0245A2FA0, 16 bytes long.
 Data: < 8Z$&#224;           > 20 38 5A 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E0245A3820, 992 bytes long.
 Data: <&#160;/Z$&#224;   &#208;&#225;Y$&#224;   > A0 2F 5A 24 E0 01 00 00 D0 E1 59 24 E0 01 00 00 
{89} normal block at 0x000001E02459E110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001E0245981F0, 16 bytes long.
 Data: <`&#201;Y$&#224;           > 60 C9 59 24 E0 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001E02459C960, 40 bytes long.
 Data: <&#240; Y$&#224;    &#225;Y$&#224;   > F0 81 59 24 E0 01 00 00 10 E1 59 24 E0 01 00 00 
{66} normal block at 0x000001E024597D40, 16 bytes long.
 Data: < &#234;&#182;O&#246;           > 80 EA B6 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E0245977A0, 16 bytes long.
 Data: <@&#233;&#182;O&#246;           > 40 E9 B6 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E024597750, 16 bytes long.
 Data: <&#248;W&#179;O&#246;           > F8 57 B3 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E024597CA0, 16 bytes long.
 Data: <&#216;W&#179;O&#246;           > D8 57 B3 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E024597F70, 16 bytes long.
 Data: <P &#179;O&#246;           > 50 04 B3 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E024597F20, 16 bytes long.
 Data: <0 &#179;O&#246;           > 30 04 B3 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E024598290, 16 bytes long.
 Data: <&#224; &#179;O&#246;           > E0 02 B3 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E0245977F0, 16 bytes long.
 Data: <  &#179;O&#246;           > 10 04 B3 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E024597700, 16 bytes long.
 Data: <p &#179;O&#246;           > 70 04 B3 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E024597840, 16 bytes long.
 Data: < &#192;&#177;O&#246;           > 18 C0 B1 4F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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