Task 38686195

Name test_210-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6959_0
Workunit 31627633
Created 28 Oct 2026, 1:11:51 UTC
Sent 28 Oct 2026, 1:11:55 UTC
Report deadline 2 Nov 2026, 1:11:55 UTC
Received 28 Oct 2026, 2:59:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 1 hours 44 min 55 sec
CPU time 1 hours 33 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.45 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:15:44 (5832): wrapper (7.9.26016): starting
18:15:44 (5832): 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
18:15:47 (5832): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:15:47 (5832): 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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\5\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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\5\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
19:57:50 (5832): C:/Windows/system32/cmd.exe exited; CPU time 5606.031250
19:57:50 (5832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 bytes in 8 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: 73533743 bytes.
Dumping objects ->
{3835275} normal block at 0x000001E39EE98290, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835264} normal block at 0x000001E39D23B280, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835253} normal block at 0x000001E39D23AC60, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835242} normal block at 0x000001E39D23AAA0, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835231} normal block at 0x000001E39D23B7C0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835200} normal block at 0x000001E39EE96890, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835189} normal block at 0x000001E39EEB0BF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835186} normal block at 0x000001E39D212030, 8 bytes long.
 Data: <  h &#227;   > 00 00 68 9D E3 01 00 00 
{3834579} normal block at 0x000001E39EEB1010, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x000001E39D211EA0, 8 bytes long.
 Data: < &#233;&#216;&#158;&#227;   > 90 E9 D8 9E E3 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001E39D213540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001E39D208220, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001E39D217A10, 16 bytes long.
 Data: <&#248;&#135;! &#227;           > F8 87 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001E39D2178D0, 16 bytes long.
 Data: <&#208;&#135;! &#227;           > D0 87 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001E39D20EEE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001E39D218280, 16 bytes long.
 Data: <&#168;&#135;! &#227;           > A8 87 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001E39D2175B0, 16 bytes long.
 Data: < &#135;! &#227;           > 80 87 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001E39D217880, 16 bytes long.
 Data: <X&#135;! &#227;           > 58 87 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E39D217C40, 16 bytes long.
 Data: <0&#135;! &#227;           > 30 87 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001E39D210780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001E39D217830, 16 bytes long.
 Data: <    &#227;           > 98 04 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E39D20F060, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001E39D217BA0, 16 bytes long.
 Data: <p   &#227;           > 70 04 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E39D218190, 16 bytes long.
 Data: <H   &#227;           > 48 04 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E39D217560, 16 bytes long.
 Data: <    &#227;           > 20 04 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E39D2176F0, 16 bytes long.
 Data: <&#248;   &#227;           > F8 03 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E39D217650, 16 bytes long.
 Data: <&#208;   &#227;           > D0 03 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E39D217DD0, 16 bytes long.
 Data: <&#168;   &#227;           > A8 03 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E39D20EE80, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{292} normal block at 0x000001E39D217970, 16 bytes long.
 Data: <    &#227;           > 80 03 20 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E39D200380, 320 bytes long.
 Data: <py! &#227;    &#238;  &#227;   > 70 79 21 9D E3 01 00 00 80 EE 20 9D E3 01 00 00 
{290} normal block at 0x000001E39D217510, 16 bytes long.
 Data: < &#135;! &#227;           > 10 87 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E39D218230, 16 bytes long.
 Data: <&#232;&#134;! &#227;           > E8 86 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E39D20E9A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001E39D2177E0, 16 bytes long.
 Data: <&#192;&#134;! &#227;           > C0 86 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E39D20F8A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001E39D218050, 16 bytes long.
 Data: < &#134;! &#227;           > 08 86 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E39D217D30, 16 bytes long.
 Data: <&#224;&#133;! &#227;           > E0 85 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E39D218460, 16 bytes long.
 Data: <&#184;&#133;! &#227;           > B8 85 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E39D218140, 16 bytes long.
 Data: < &#133;! &#227;           > 90 85 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E39D218410, 16 bytes long.
 Data: <h&#133;! &#227;           > 68 85 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E39D217F60, 16 bytes long.
 Data: <@&#133;! &#227;           > 40 85 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E39D217790, 16 bytes long.
 Data: <&#192; ! &#227;           > C0 05 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E39D2105C0, 40 bytes long.
 Data: < w! &#227;    h&#233;&#158;&#227;   > 90 77 21 9D E3 01 00 00 90 68 E9 9E E3 01 00 00 
{276} normal block at 0x000001E39D2180A0, 16 bytes long.
 Data: < &#133;! &#227;           > 20 85 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E39D217920, 16 bytes long.
 Data: <&#248;&#132;! &#227;           > F8 84 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E39D20EFA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001E39D217600, 16 bytes long.
 Data: <&#208;&#132;! &#227;           > D0 84 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E39D2184D0, 992 bytes long.
 Data: < v! &#227;   &#160;&#239;  &#227;   > 00 76 21 9D E3 01 00 00 A0 EF 20 9D E3 01 00 00 
{108} normal block at 0x000001E39D20F6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001E39D212850, 16 bytes long.
 Data: <  ! &#227;           > 20 03 21 9D E3 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001E39D210320, 40 bytes long.
 Data: <P(! &#227;   &#192;&#246;  &#227;   > 50 28 21 9D E3 01 00 00 C0 F6 20 9D E3 01 00 00 
{85} normal block at 0x000001E39D2123F0, 16 bytes long.
 Data: < &#234;&#200;&#204;&#247;           > 80 EA C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001E39D211C20, 16 bytes long.
 Data: <@&#233;&#200;&#204;&#247;           > 40 E9 C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001E39D211D60, 16 bytes long.
 Data: <&#248;W&#197;&#204;&#247;           > F8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E39D212620, 16 bytes long.
 Data: <&#216;W&#197;&#204;&#247;           > D8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E39D212120, 16 bytes long.
 Data: <P &#197;&#204;&#247;           > 50 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001E39D211B30, 16 bytes long.
 Data: <0 &#197;&#204;&#247;           > 30 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001E39D2128A0, 16 bytes long.
 Data: <&#224; &#197;&#204;&#247;           > E0 02 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001E39D212A80, 16 bytes long.
 Data: <  &#197;&#204;&#247;           > 10 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E39D212300, 16 bytes long.
 Data: <p &#197;&#204;&#247;           > 70 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E39D211FE0, 16 bytes long.
 Data: < &#192;&#195;&#204;&#247;           > 18 C0 C3 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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