Task 38686256

Name test_973-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND5087_0
Workunit 31627694
Created 28 Oct 2026, 1:34:54 UTC
Sent 28 Oct 2026, 1:35:01 UTC
Report deadline 2 Nov 2026, 1:35:01 UTC
Received 28 Oct 2026, 3:33:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623034
Run time 23 min 36 sec
CPU time 21 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.25 MB
Peak swap size 9.98 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:09:44 (29656): wrapper (7.9.26016): starting
22:09:44 (29656): 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
22:09:46 (29656): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:09:46 (29656): 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\24\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\24\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
22:32:37 (29656): C:/Windows/system32/cmd.exe exited; CPU time 1285.312500
22:32:37 (29656): 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: 28474865 bytes.
Dumping objects ->
{3835205} normal block at 0x000002432A14CB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000243284D4930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000243284D48C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x00000243284D4850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000243284D4770, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x000002432A198270, 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) : {3835117} normal block at 0x00000243284CE6F0, 8 bytes long.
 Data: <  J(C   > 00 00 4A 28 43 02 00 00 
{3833969} normal block at 0x00000243284CF2D0, 8 bytes long.
 Data: <&#224;V *C   > E0 56 1F 2A 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000243284D1160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000243284C5460, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000243284D5C40, 16 bytes long.
 Data: <8dM(C           > 38 64 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000243284D5330, 16 bytes long.
 Data: < dM(C           > 10 64 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000243284D0210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000243284D5420, 16 bytes long.
 Data: <&#232;cM(C           > E8 63 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000243284D5380, 16 bytes long.
 Data: <&#192;cM(C           > C0 63 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000243284D5BF0, 16 bytes long.
 Data: < cM(C           > 98 63 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000243284D5B50, 16 bytes long.
 Data: <pcM(C           > 70 63 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000243284D4C40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000243284D5FB0, 16 bytes long.
 Data: <&#200;&#133;L(C           > C8 85 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000243284D04B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000243284D5AB0, 16 bytes long.
 Data: <&#160;&#133;L(C           > A0 85 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000243284D58D0, 16 bytes long.
 Data: <x&#133;L(C           > 78 85 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000243284D5A10, 16 bytes long.
 Data: <P&#133;L(C           > 50 85 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000243284D5240, 16 bytes long.
 Data: <(&#133;L(C           > 28 85 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000243284D5F60, 16 bytes long.
 Data: < &#133;L(C           > 00 85 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000243284D5150, 16 bytes long.
 Data: <&#216;&#132;L(C           > D8 84 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000243284CF8B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000243284D5830, 16 bytes long.
 Data: <&#176;&#132;L(C           > B0 84 4C 28 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000243284C84B0, 320 bytes long.
 Data: <0XM(C   &#176;&#248;L(C   > 30 58 4D 28 43 02 00 00 B0 F8 4C 28 43 02 00 00 
{280} normal block at 0x00000243284D5560, 16 bytes long.
 Data: <PcM(C           > 50 63 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000243284D5970, 16 bytes long.
 Data: <(cM(C           > 28 63 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000243284CFB50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000243284D6000, 16 bytes long.
 Data: < cM(C           > 00 63 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000243284CF730, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000243284D5CE0, 16 bytes long.
 Data: <HbM(C           > 48 62 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000243284D5880, 16 bytes long.
 Data: < bM(C           > 20 62 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000243284D5BA0, 16 bytes long.
 Data: <&#248;aM(C           > F8 61 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000243284D5790, 16 bytes long.
 Data: <&#208;aM(C           > D0 61 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000243284D52E0, 16 bytes long.
 Data: <&#168;aM(C           > A8 61 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000243284D5920, 16 bytes long.
 Data: < aM(C           > 80 61 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000243284D5290, 16 bytes long.
 Data: <@EM(C           > 40 45 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000243284D4540, 40 bytes long.
 Data: < RM(C   p&#130; *C   > 90 52 4D 28 43 02 00 00 70 82 19 2A 43 02 00 00 
{266} normal block at 0x00000243284D5D30, 16 bytes long.
 Data: <`aM(C           > 60 61 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000243284D5E70, 16 bytes long.
 Data: <8aM(C           > 38 61 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000243284CFAF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000243284D5A60, 16 bytes long.
 Data: < aM(C           > 10 61 4D 28 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000243284D6110, 992 bytes long.
 Data: <`ZM(C   &#240;&#250;L(C   > 60 5A 4D 28 43 02 00 00 F0 FA 4C 28 43 02 00 00 
{98} normal block at 0x00000243284D0150, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000243284CF190, 16 bytes long.
 Data: <0&#212;K(C           > 30 D4 4B 28 43 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000243284BD430, 40 bytes long.
 Data: < &#241;L(C   P M(C   > 90 F1 4C 28 43 02 00 00 50 01 4D 28 43 02 00 00 
{75} normal block at 0x00000243284CF140, 16 bytes long.
 Data: < &#234;$#&#247;           > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000243284CF4B0, 16 bytes long.
 Data: <@&#233;$#&#247;           > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000243284CF320, 16 bytes long.
 Data: <&#248;W!#&#247;           > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000243284CF0F0, 16 bytes long.
 Data: <&#216;W!#&#247;           > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000243284CF550, 16 bytes long.
 Data: <P !#&#247;           > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000243284CE6A0, 16 bytes long.
 Data: <0 !#&#247;           > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000243284CEF60, 16 bytes long.
 Data: <&#224; !#&#247;           > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000243284CF1E0, 16 bytes long.
 Data: <  !#&#247;           > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000243284CEE70, 16 bytes long.
 Data: <p !#&#247;           > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000243284CF500, 16 bytes long.
 Data: < &#192; #&#247;           > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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