Task 38698319

Name test_472-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8894_0
Workunit 31638842
Created 2 Nov 2026, 9:36:36 UTC
Sent 2 Nov 2026, 9:36:39 UTC
Report deadline 7 Nov 2026, 9:36:39 UTC
Received 2 Nov 2026, 22:21:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652859
Run time 1 hours 20 min 55 sec
CPU time 59 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,386.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 772.03 MB
Peak swap size 12.94 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:04:14 (97192): wrapper (7.9.26016): starting
22:04:14 (97192): 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
22:04:15 (97192): Library/usr/bin/tar.exe exited; CPU time 0.031250
22:04:15 (97192): 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\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 'C:\ProgramData\BOINC\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
23:20:57 (97192): C:/Windows/system32/cmd.exe exited; CPU time 3566.828125
23:20:57 (97192): 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: 97768201 bytes.
Dumping objects ->
{3835444} normal block at 0x0000024C16A6A3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835433} normal block at 0x0000024C16A69D60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835422} normal block at 0x0000024C16A6A0E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835411} normal block at 0x0000024C16A69890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835400} normal block at 0x0000024C16A6A380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835369} normal block at 0x0000024C18748670, 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) : {3835356} normal block at 0x0000024C1698EFC0, 8 bytes long.
 Data: <  @ L   > 00 00 40 18 4C 02 00 00 
{3833965} normal block at 0x0000024C1698F510, 8 bytes long.
 Data: <&#192;&#229;&#166; L   > C0 E5 A6 16 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024C1698C480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024C16986050, 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 0x0000024C16999750, 16 bytes long.
 Data: < &#162;  L           > 18 A2 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024C169993E0, 16 bytes long.
 Data: <&#240;&#161;  L           > F0 A1 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024C16993D00, 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 0x0000024C16998F80, 16 bytes long.
 Data: <&#200;&#161;  L           > C8 A1 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024C16999930, 16 bytes long.
 Data: <&#160;&#161;  L           > A0 A1 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024C16999390, 16 bytes long.
 Data: <x&#161;  L           > 78 A1 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024C16999890, 16 bytes long.
 Data: <P&#161;  L           > 50 A1 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C16994A80, 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 0x0000024C169990C0, 16 bytes long.
 Data: <H?  L           > 48 3F 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024C16993520, 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 0x0000024C16999340, 16 bytes long.
 Data: < ?  L           > 20 3F 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024C169997F0, 16 bytes long.
 Data: <&#248;>  L           > F8 3E 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024C169992A0, 16 bytes long.
 Data: <&#208;>  L           > D0 3E 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024C16999070, 16 bytes long.
 Data: <&#168;>  L           > A8 3E 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024C16998F30, 16 bytes long.
 Data: < >  L           > 80 3E 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024C16999E30, 16 bytes long.
 Data: <X>  L           > 58 3E 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C16993340, 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 0x0000024C16999250, 16 bytes long.
 Data: <0>  L           > 30 3E 98 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024C16983E30, 320 bytes long.
 Data: <P&#146;  L   @3  L   > 50 92 99 16 4C 02 00 00 40 33 99 16 4C 02 00 00 
{278} normal block at 0x0000024C16999700, 16 bytes long.
 Data: <0&#161;  L           > 30 A1 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024C16999160, 16 bytes long.
 Data: < &#161;  L           > 08 A1 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024C16993460, 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 0x0000024C16999A20, 16 bytes long.
 Data: <&#224;&#160;  L           > E0 A0 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024C16993400, 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 0x0000024C16999DE0, 16 bytes long.
 Data: <(&#160;  L           > 28 A0 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024C16999D40, 16 bytes long.
 Data: < &#160;  L           > 00 A0 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024C16999200, 16 bytes long.
 Data: <&#216;&#159;  L           > D8 9F 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024C16999CF0, 16 bytes long.
 Data: <&#176;&#159;  L           > B0 9F 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024C16999A70, 16 bytes long.
 Data: < &#159;  L           > 88 9F 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024C16999520, 16 bytes long.
 Data: <`&#159;  L           > 60 9F 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024C16999B10, 16 bytes long.
 Data: < M  L           > 20 4D 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024C16994D20, 40 bytes long.
 Data: < &#155;  L   p&#134;t L   > 10 9B 99 16 4C 02 00 00 70 86 74 18 4C 02 00 00 
{264} normal block at 0x0000024C169992F0, 16 bytes long.
 Data: <@&#159;  L           > 40 9F 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024C16999CA0, 16 bytes long.
 Data: < &#159;  L           > 18 9F 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024C16992FE0, 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 0x0000024C169997A0, 16 bytes long.
 Data: <&#240;&#158;  L           > F0 9E 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024C16999EF0, 992 bytes long.
 Data: <&#160;&#151;  L   &#224;/  L   > A0 97 99 16 4C 02 00 00 E0 2F 99 16 4C 02 00 00 
{96} normal block at 0x0000024C16993280, 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 0x0000024C1698FBA0, 16 bytes long.
 Data: <&#176;L  L           > B0 4C 99 16 4C 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000024C16994CB0, 40 bytes long.
 Data: <&#160;&#251;  L    2  L   > A0 FB 98 16 4C 02 00 00 80 32 99 16 4C 02 00 00 
{73} normal block at 0x0000024C1698EE30, 16 bytes long.
 Data: < &#234;Z&#242;&#246;           > 80 EA 5A F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024C1698FCE0, 16 bytes long.
 Data: <@&#233;Z&#242;&#246;           > 40 E9 5A F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024C1698F3D0, 16 bytes long.
 Data: <&#248;WW&#242;&#246;           > F8 57 57 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024C1698FB00, 16 bytes long.
 Data: <&#216;WW&#242;&#246;           > D8 57 57 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024C1698F470, 16 bytes long.
 Data: <P W&#242;&#246;           > 50 04 57 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024C1698F240, 16 bytes long.
 Data: <0 W&#242;&#246;           > 30 04 57 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024C1698EF20, 16 bytes long.
 Data: <&#224; W&#242;&#246;           > E0 02 57 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024C1698F2E0, 16 bytes long.
 Data: <  W&#242;&#246;           > 10 04 57 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024C1698F8D0, 16 bytes long.
 Data: <p W&#242;&#246;           > 70 04 57 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024C1698F4C0, 16 bytes long.
 Data: < &#192;U&#242;&#246;           > 18 C0 55 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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