Task 38679661

Name test_450-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND3840_0
Workunit 31621428
Created 26 Oct 2026, 21:18:18 UTC
Sent 26 Oct 2026, 21:18:24 UTC
Report deadline 31 Oct 2026, 21:18:24 UTC
Received 27 Oct 2026, 1:45:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646363
Run time 49 min 22 sec
CPU time 45 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,611.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.26 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:52:24 (19424): wrapper (7.9.26016): starting
00:52:24 (19424): 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
00:52:32 (19424): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:52:32 (19424): 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 'D:\ProgramData\BOINC\slots\4\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 'D:\ProgramData\BOINC\slots\4\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
01:44:25 (19424): C:/Windows/system32/cmd.exe exited; CPU time 2756.859375
01:44:25 (19424): 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: 79057119 bytes.
Dumping objects ->
{3835471} normal block at 0x00000290876F8F70, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000029085B351E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x0000029085B35170, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x0000029085B35790, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000029085B356B0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x000002908770BE00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835383} normal block at 0x0000029085B2F820, 8 bytes long.
 Data: <  &#231;&#133;    > 00 00 E7 85 90 02 00 00 
{3833963} normal block at 0x0000029085B30220, 8 bytes long.
 Data: <pWy&#135;    > 70 57 79 87 90 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029085B31A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029085B26F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000029085B35FC0, 16 bytes long.
 Data: < o&#179;&#133;            > 88 6F B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029085B36B50, 16 bytes long.
 Data: <`o&#179;&#133;            > 60 6F B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029085B2D910, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000029085B36880, 16 bytes long.
 Data: <8o&#179;&#133;            > 38 6F B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029085B362E0, 16 bytes long.
 Data: < o&#179;&#133;            > 10 6F B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029085B36830, 16 bytes long.
 Data: <&#232;n&#179;&#133;            > E8 6E B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029085B365B0, 16 bytes long.
 Data: <&#192;n&#179;&#133;            > C0 6E B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029085B35330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000029085B36290, 16 bytes long.
 Data: <X&#242;&#177;&#133;            > 58 F2 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029085B2DD30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000029085B367E0, 16 bytes long.
 Data: <0&#242;&#177;&#133;            > 30 F2 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029085B36600, 16 bytes long.
 Data: < &#242;&#177;&#133;            > 08 F2 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029085B36150, 16 bytes long.
 Data: <&#224;&#241;&#177;&#133;            > E0 F1 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029085B36790, 16 bytes long.
 Data: <&#184;&#241;&#177;&#133;            > B8 F1 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029085B368D0, 16 bytes long.
 Data: < &#241;&#177;&#133;            > 90 F1 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029085B35F70, 16 bytes long.
 Data: <h&#241;&#177;&#133;            > 68 F1 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029085B2E1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000029085B36B00, 16 bytes long.
 Data: <@&#241;&#177;&#133;            > 40 F1 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029085B1F140, 320 bytes long.
 Data: < k&#179;&#133;    &#176;&#225;&#178;&#133;    > 00 6B B3 85 90 02 00 00 B0 E1 B2 85 90 02 00 00 
{277} normal block at 0x0000029085B35ED0, 16 bytes long.
 Data: <&#160;n&#179;&#133;            > A0 6E B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029085B36740, 16 bytes long.
 Data: <xn&#179;&#133;            > 78 6E B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029085B2E150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000029085B35DE0, 16 bytes long.
 Data: <Pn&#179;&#133;            > 50 6E B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029085B2DA90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000029085B36560, 16 bytes long.
 Data: < m&#179;&#133;            > 98 6D B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029085B366F0, 16 bytes long.
 Data: <pm&#179;&#133;            > 70 6D B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029085B36AB0, 16 bytes long.
 Data: <Hm&#179;&#133;            > 48 6D B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029085B36A10, 16 bytes long.
 Data: < m&#179;&#133;            > 20 6D B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029085B36650, 16 bytes long.
 Data: <&#248;l&#179;&#133;            > F8 6C B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029085B361A0, 16 bytes long.
 Data: <&#208;l&#179;&#133;            > D0 6C B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029085B35D90, 16 bytes long.
 Data: <&#192;R&#179;&#133;            > C0 52 B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029085B352C0, 40 bytes long.
 Data: < ]&#179;&#133;     &#190;p&#135;    > 90 5D B3 85 90 02 00 00 00 BE 70 87 90 02 00 00 
{263} normal block at 0x0000029085B35F20, 16 bytes long.
 Data: <&#176;l&#179;&#133;            > B0 6C B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029085B366A0, 16 bytes long.
 Data: < l&#179;&#133;            > 88 6C B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029085B2E090, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000029085B35E80, 16 bytes long.
 Data: <`l&#179;&#133;            > 60 6C B3 85 90 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029085B36C60, 992 bytes long.
 Data: < ^&#179;&#133;     &#224;&#178;&#133;    > 80 5E B3 85 90 02 00 00 90 E0 B2 85 90 02 00 00 
{95} normal block at 0x0000029085B2DFD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000029085B2FB40, 16 bytes long.
 Data: <&#208;&#240;&#177;&#133;            > D0 F0 B1 85 90 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000029085B1F0D0, 40 bytes long.
 Data: <@&#251;&#178;&#133;    &#208;&#223;&#178;&#133;    > 40 FB B2 85 90 02 00 00 D0 DF B2 85 90 02 00 00 
{72} normal block at 0x0000029085B30040, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 7F 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029085B304A0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 7F 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029085B2F910, 16 bytes long.
 Data: <&#248;W| &#246;           > F8 57 7C 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029085B2FDC0, 16 bytes long.
 Data: <&#216;W| &#246;           > D8 57 7C 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029085B302C0, 16 bytes long.
 Data: <P | &#246;           > 50 04 7C 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029085B301D0, 16 bytes long.
 Data: <0 | &#246;           > 30 04 7C 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029085B30360, 16 bytes long.
 Data: <&#224; | &#246;           > E0 02 7C 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029085B2FAF0, 16 bytes long.
 Data: <  | &#246;           > 10 04 7C 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029085B2F9B0, 16 bytes long.
 Data: <p | &#246;           > 70 04 7C 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029085B2FE60, 16 bytes long.
 Data: < &#192;z &#246;           > 18 C0 7A 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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