Task 38667015

Name test_384-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4960_1
Workunit 31608078
Created 25 Oct 2026, 5:56:54 UTC
Sent 25 Oct 2026, 5:57:15 UTC
Report deadline 30 Oct 2026, 5:57:15 UTC
Received 25 Oct 2026, 9:57:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 3 hours 2 min 50 sec
CPU time 3 hours 2 min 13 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.40 MB
Peak swap size 8.49 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:54:29 (44816): wrapper (7.9.26016): starting
01:54:29 (44816): 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
01:54:30 (44816): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:54:30 (44816): 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\12\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\12\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
04:56:11 (44816): C:/Windows/system32/cmd.exe exited; CPU time 10933.484375
04:56:11 (44816): 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: 206069363 bytes.
Dumping objects ->
{3835249} normal block at 0x000001B6211CCD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001B61F3D4D40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001B61F3D4CD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x000001B61F3D46B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001B61F3D4C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x000001B621216E70, 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) : {3835161} normal block at 0x000001B61F3CF580, 8 bytes long.
 Data: <  : &#182;   > 00 00 3A 1F B6 01 00 00 
{3833961} normal block at 0x000001B61F3CEE00, 8 bytes long.
 Data: <&#176;&#227; !&#182;   > B0 E3 12 21 B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B61F3D0DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B61F3C6950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B61F3D5A10, 16 bytes long.
 Data: <Xg= &#182;           > 58 67 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B61F3D5FB0, 16 bytes long.
 Data: <0g= &#182;           > 30 67 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B61F3CF840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B61F3D5510, 16 bytes long.
 Data: < g= &#182;           > 08 67 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B61F3D56F0, 16 bytes long.
 Data: <&#224;f= &#182;           > E0 66 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B61F3D5830, 16 bytes long.
 Data: <&#184;f= &#182;           > B8 66 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B61F3D61E0, 16 bytes long.
 Data: < f= &#182;           > 90 66 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B61F3D4870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B61F3D54C0, 16 bytes long.
 Data: <&#216;&#229;< &#182;           > D8 E5 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B61F3D0020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B61F3D5F60, 16 bytes long.
 Data: <&#176;&#229;< &#182;           > B0 E5 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B61F3D5D80, 16 bytes long.
 Data: < &#229;< &#182;           > 88 E5 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B61F3D5470, 16 bytes long.
 Data: <`&#229;< &#182;           > 60 E5 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B61F3D5DD0, 16 bytes long.
 Data: <8&#229;< &#182;           > 38 E5 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B61F3D5E70, 16 bytes long.
 Data: < &#229;< &#182;           > 10 E5 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B61F3D62D0, 16 bytes long.
 Data: <&#232;&#228;< &#182;           > E8 E4 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B61F3CFAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B61F3D6050, 16 bytes long.
 Data: <&#192;&#228;< &#182;           > C0 E4 3C 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B61F3CE4C0, 320 bytes long.
 Data: <P`= &#182;   &#224;&#250;< &#182;   > 50 60 3D 1F B6 01 00 00 E0 FA 3C 1F B6 01 00 00 
{276} normal block at 0x000001B61F3D57E0, 16 bytes long.
 Data: <pf= &#182;           > 70 66 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B61F3D6370, 16 bytes long.
 Data: <Hf= &#182;           > 48 66 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B61F3D0320, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B61F3D6140, 16 bytes long.
 Data: < f= &#182;           > 20 66 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B61F3CFBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B61F3D6190, 16 bytes long.
 Data: <he= &#182;           > 68 65 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B61F3D59C0, 16 bytes long.
 Data: <@e= &#182;           > 40 65 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B61F3D6000, 16 bytes long.
 Data: < e= &#182;           > 18 65 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B61F3D5F10, 16 bytes long.
 Data: <&#240;d= &#182;           > F0 64 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B61F3D5AB0, 16 bytes long.
 Data: <&#200;d= &#182;           > C8 64 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B61F3D5EC0, 16 bytes long.
 Data: <&#160;d= &#182;           > A0 64 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B61F3D5790, 16 bytes long.
 Data: <&#160;J= &#182;           > A0 4A 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B61F3D4AA0, 40 bytes long.
 Data: < W= &#182;   pn!!&#182;   > 90 57 3D 1F B6 01 00 00 70 6E 21 21 B6 01 00 00 
{262} normal block at 0x000001B61F3D5970, 16 bytes long.
 Data: < d= &#182;           > 80 64 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B61F3D60F0, 16 bytes long.
 Data: <Xd= &#182;           > 58 64 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B61F3CFC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B61F3D6320, 16 bytes long.
 Data: <0d= &#182;           > 30 64 3D 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B61F3D6430, 992 bytes long.
 Data: < c= &#182;   `&#252;< &#182;   > 20 63 3D 1F B6 01 00 00 60 FC 3C 1F B6 01 00 00 
{94} normal block at 0x000001B61F3D0620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B61F3CF6C0, 16 bytes long.
 Data: < &#233;; &#182;           > 00 E9 3B 1F B6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B61F3BE900, 40 bytes long.
 Data: <&#192;&#246;< &#182;     = &#182;   > C0 F6 3C 1F B6 01 00 00 20 06 3D 1F B6 01 00 00 
{71} normal block at 0x000001B61F3CECC0, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B61F3CF4E0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B61F3CF170, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B61F3CE810, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B61F3CF120, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B61F3CF490, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B61F3CEB80, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B61F3CE860, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B61F3CF620, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B61F3CE950, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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