Task 38649865

Name test_314-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND9479_0
Workunit 31594427
Created 23 Oct 2026, 22:15:07 UTC
Sent 23 Oct 2026, 22:33:05 UTC
Report deadline 28 Oct 2026, 22:33:05 UTC
Received 23 Oct 2026, 23:38:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637827
Run time 44 min 37 sec
CPU time 43 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.17 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:53:12 (13396): wrapper (7.9.26016): starting
01:53:12 (13396): 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
01:53:13 (13396): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:53:13 (13396): 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:\BOINC_Projects\slots\0\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:\BOINC_Projects\slots\0\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
02:37:10 (13396): C:/Windows/system32/cmd.exe exited; CPU time 2589.718750
02:37:10 (13396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 41378105 bytes.
Dumping objects ->
{3835241} normal block at 0x000001C201E865C0, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835230} normal block at 0x000001C203AD64C0, 32 bytes long.
 Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835219} normal block at 0x000001C203AD6760, 32 bytes long.
 Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F 
{3835208} normal block at 0x000001C203AD6820, 32 bytes long.
 Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835197} normal block at 0x000001C201E86B00, 48 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835166} normal block at 0x000001C201E86B70, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
..\api\boinc_api.cpp(309) : {3835153} normal block at 0x000001C201E56D50, 8 bytes long.
 Data: <  &#226; &#194;   > 00 00 E2 01 C2 01 00 00 
{3833953} normal block at 0x000001C201E576B0, 8 bytes long.
 Data: <  &#174; &#194;   > 20 14 AE 03 C2 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C201E61B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C201E46280, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001C201E63100, 16 bytes long.
 Data: <XA&#230; &#194;           > 58 41 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C201E63600, 16 bytes long.
 Data: <0A&#230; &#194;           > 30 41 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C201E5BDA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001C201E638D0, 16 bytes long.
 Data: < A&#230; &#194;           > 08 41 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C201E63510, 16 bytes long.
 Data: <&#224;@&#230; &#194;           > E0 40 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C201E62A70, 16 bytes long.
 Data: <&#184;@&#230; &#194;           > B8 40 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C201E634C0, 16 bytes long.
 Data: <&#144;@&#230; &#194;           > 90 40 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C201E5DC60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001C201E63470, 16 bytes long.
 Data: < b&#228; &#194;           > 18 62 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C201E5BE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001C201E631F0, 16 bytes long.
 Data: <&#240;a&#228; &#194;           > F0 61 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C201E63420, 16 bytes long.
 Data: <&#200;a&#228; &#194;           > C8 61 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C201E63060, 16 bytes long.
 Data: <&#160;a&#228; &#194;           > A0 61 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C201E633D0, 16 bytes long.
 Data: <xa&#228; &#194;           > 78 61 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C201E62E80, 16 bytes long.
 Data: <Pa&#228; &#194;           > 50 61 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C201E62F20, 16 bytes long.
 Data: <(a&#228; &#194;           > 28 61 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C201E5BD40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001C201E62DE0, 16 bytes long.
 Data: < a&#228; &#194;           > 00 61 E4 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C201E46100, 320 bytes long.
 Data: <&#224;-&#230; &#194;   @&#189;&#229; &#194;   > E0 2D E6 01 C2 01 00 00 40 BD E5 01 C2 01 00 00 
{272} normal block at 0x000001C201E63010, 16 bytes long.
 Data: <p@&#230; &#194;           > 70 40 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C201E62C00, 16 bytes long.
 Data: <H@&#230; &#194;           > 48 40 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C201E5C580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001C201E63560, 16 bytes long.
 Data: < @&#230; &#194;           > 20 40 E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C201E5BB60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001C201E62FC0, 16 bytes long.
 Data: <h?&#230; &#194;           > 68 3F E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C201E632E0, 16 bytes long.
 Data: <@?&#230; &#194;           > 40 3F E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C201E63380, 16 bytes long.
 Data: < ?&#230; &#194;           > 18 3F E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C201E62D40, 16 bytes long.
 Data: <&#240;>&#230; &#194;           > F0 3E E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C201E639C0, 16 bytes long.
 Data: <&#200;>&#230; &#194;           > C8 3E E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C201E62B10, 16 bytes long.
 Data: <&#160;>&#230; &#194;           > A0 3E E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C201E63920, 16 bytes long.
 Data: <&#224;&#223;&#229; &#194;           > E0 DF E5 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C201E5DFE0, 40 bytes long.
 Data: < 9&#230; &#194;   pk&#232; &#194;   > 20 39 E6 01 C2 01 00 00 70 6B E8 01 C2 01 00 00 
{258} normal block at 0x000001C201E635B0, 16 bytes long.
 Data: <&#128;>&#230; &#194;           > 80 3E E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C201E62AC0, 16 bytes long.
 Data: <X>&#230; &#194;           > 58 3E E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C201E5BB00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001C201E63830, 16 bytes long.
 Data: <0>&#230; &#194;           > 30 3E E6 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C201E63E30, 992 bytes long.
 Data: <08&#230; &#194;    &#187;&#229; &#194;   > 30 38 E6 01 C2 01 00 00 00 BB E5 01 C2 01 00 00 
{90} normal block at 0x000001C201E5C220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001C201E57A20, 16 bytes long.
 Data: <0&#225;&#229; &#194;           > 30 E1 E5 01 C2 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001C201E5E130, 40 bytes long.
 Data: < z&#229; &#194;    &#194;&#229; &#194;   > 20 7A E5 01 C2 01 00 00 20 C2 E5 01 C2 01 00 00 
{67} normal block at 0x000001C201E57660, 16 bytes long.
 Data: <&#128;&#234;&#174;&#132;&#246;           > 80 EA AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C201E57340, 16 bytes long.
 Data: <@&#233;&#174;&#132;&#246;           > 40 E9 AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C201E578E0, 16 bytes long.
 Data: <&#248;W&#171;&#132;&#246;           > F8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C201E56CB0, 16 bytes long.
 Data: <&#216;W&#171;&#132;&#246;           > D8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C201E56C60, 16 bytes long.
 Data: <P &#171;&#132;&#246;           > 50 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C201E56C10, 16 bytes long.
 Data: <0 &#171;&#132;&#246;           > 30 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C201E57110, 16 bytes long.
 Data: <&#224; &#171;&#132;&#246;           > E0 02 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C201E574D0, 16 bytes long.
 Data: <  &#171;&#132;&#246;           > 10 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C201E57B60, 16 bytes long.
 Data: <p &#171;&#132;&#246;           > 70 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C201E56E90, 16 bytes long.
 Data: < &#192;&#169;&#132;&#246;           > 18 C0 A9 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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