Task 38695776

Name test_120-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3932_0
Workunit 31636452
Created 31 Oct 2026, 15:11:00 UTC
Sent 31 Oct 2026, 15:11:04 UTC
Report deadline 5 Nov 2026, 15:11:04 UTC
Received 31 Oct 2026, 15:40:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 28 min 58 sec
CPU time 27 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.05 MB
Peak swap size 9.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:12:33 (259632): wrapper (7.9.26016): starting
11:12:33 (259632): 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
11:12:35 (259632): Library/usr/bin/tar.exe exited; CPU time 0.046875
11:12:35 (259632): 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\25\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\25\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
11:40:11 (259632): C:/Windows/system32/cmd.exe exited; CPU time 1659.765625
11:40:11 (259632): 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: 41738181 bytes.
Dumping objects ->
{3835263} normal block at 0x000002571BFFDC50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000002571A1A56B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000002571A1A5640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x000002571A1A5560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000002571A1A55D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x000002571C046BB0, 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) : {3835175} normal block at 0x000002571A19DAB0, 8 bytes long.
 Data: <    W   > 00 00 16 1A 57 02 00 00 
{3833965} normal block at 0x000002571A19DBF0, 8 bytes long.
 Data: <`G  W   > 60 47 0A 1C 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002571A1A1880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002571A196D50, 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 0x000002571A1A61F0, 16 bytes long.
 Data: <&#184;q  W           > B8 71 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002571A1A6A10, 16 bytes long.
 Data: < q  W           > 90 71 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002571A1A00D0, 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 0x000002571A1A5F20, 16 bytes long.
 Data: <hq  W           > 68 71 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002571A1A69C0, 16 bytes long.
 Data: <@q  W           > 40 71 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002571A1A6920, 16 bytes long.
 Data: < q  W           > 18 71 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002571A1A6880, 16 bytes long.
 Data: <&#240;p  W           > F0 70 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002571A1A5410, 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 0x000002571A1A5ED0, 16 bytes long.
 Data: < &#243;  W           > 88 F3 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002571A19FEF0, 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 0x000002571A1A6740, 16 bytes long.
 Data: <`&#243;  W           > 60 F3 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002571A1A6830, 16 bytes long.
 Data: <8&#243;  W           > 38 F3 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002571A1A6470, 16 bytes long.
 Data: < &#243;  W           > 10 F3 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002571A1A6C40, 16 bytes long.
 Data: <&#232;&#242;  W           > E8 F2 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002571A1A6060, 16 bytes long.
 Data: <&#192;&#242;  W           > C0 F2 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002571A1A6A60, 16 bytes long.
 Data: < &#242;  W           > 98 F2 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002571A1A0310, 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 0x000002571A1A68D0, 16 bytes long.
 Data: <p&#242;  W           > 70 F2 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002571A18F270, 320 bytes long.
 Data: <&#208;h  W       W   > D0 68 1A 1A 57 02 00 00 10 03 1A 1A 57 02 00 00 
{278} normal block at 0x000002571A1A5FC0, 16 bytes long.
 Data: <&#208;p  W           > D0 70 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002571A1A6BF0, 16 bytes long.
 Data: <&#168;p  W           > A8 70 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002571A19FCB0, 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 0x000002571A1A67E0, 16 bytes long.
 Data: < p  W           > 80 70 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002571A1A0370, 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 0x000002571A1A6970, 16 bytes long.
 Data: <&#200;o  W           > C8 6F 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002571A1A66A0, 16 bytes long.
 Data: <&#160;o  W           > A0 6F 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002571A1A6380, 16 bytes long.
 Data: <xo  W           > 78 6F 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002571A1A6E20, 16 bytes long.
 Data: <Po  W           > 50 6F 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002571A1A6B50, 16 bytes long.
 Data: <(o  W           > 28 6F 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002571A1A63D0, 16 bytes long.
 Data: < o  W           > 00 6F 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002571A1A6B00, 16 bytes long.
 Data: <&#160;S  W           > A0 53 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002571A1A53A0, 40 bytes long.
 Data: < k  W   &#176;k  W   > 00 6B 1A 1A 57 02 00 00 B0 6B 04 1C 57 02 00 00 
{264} normal block at 0x000002571A1A66F0, 16 bytes long.
 Data: <&#224;n  W           > E0 6E 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002571A1A6790, 16 bytes long.
 Data: <&#184;n  W           > B8 6E 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002571A19FB30, 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 0x000002571A1A6650, 16 bytes long.
 Data: < n  W           > 90 6E 1A 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002571A1A6E90, 992 bytes long.
 Data: <Pf  W   0&#251;  W   > 50 66 1A 1A 57 02 00 00 30 FB 19 1A 57 02 00 00 
{96} normal block at 0x000002571A1A0670, 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 0x000002571A19DE20, 16 bytes long.
 Data: <&#160;&#198;  W           > A0 C6 18 1A 57 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002571A18C6A0, 40 bytes long.
 Data: < &#222;  W   p   W   > 20 DE 19 1A 57 02 00 00 70 06 1A 1A 57 02 00 00 
{73} normal block at 0x000002571A19E640, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002571A19D970, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002571A19D790, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002571A19D880, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002571A19DD30, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002571A19DCE0, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002571A19DA60, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002571A19E6E0, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002571A19E4B0, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002571A19DF60, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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