Task 38674515

Name test_872-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3636_0
Workunit 31616547
Created 26 Oct 2026, 5:30:35 UTC
Sent 26 Oct 2026, 5:30:37 UTC
Report deadline 31 Oct 2026, 5:30:37 UTC
Received 26 Oct 2026, 6:16:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604846
Run time 44 min 45 sec
CPU time 42 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.95 MB
Peak swap size 9.75 GB
Peak disk usage 3.67 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:33:21 (9616): wrapper (7.9.26016): starting
00:33:21 (9616): 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
00:33:22 (9616): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:22 (9616): 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\13\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\13\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
01:16:20 (9616): C:/Windows/system32/cmd.exe exited; CPU time 2542.859375
01:16:21 (9616): 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: 48274525 bytes.
Dumping objects ->
{3835194} normal block at 0x000002CCDD105EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000002CCDD105C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000002CCDD105DD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000002CCDD105C10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002CCDD105970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000002CCDEF06640, 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) : {3835106} normal block at 0x000002CCDD101BD0, 8 bytes long.
 Data: <  p&#221;&#204;   > 00 00 70 DD CC 02 00 00 
{3833957} normal block at 0x000002CCDD101450, 8 bytes long.
 Data: <&#240;Q &#221;&#204;   > F0 51 10 DD CC 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002CCDD0F7C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002CCDD0F0C10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002CCDD1069C0, 16 bytes long.
 Data: <&#168;e &#221;&#204;           > A8 65 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CCDD1075A0, 16 bytes long.
 Data: < e &#221;&#204;           > 80 65 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002CCDD0FECB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002CCDD1066F0, 16 bytes long.
 Data: <Xe &#221;&#204;           > 58 65 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002CCDD106E20, 16 bytes long.
 Data: <0e &#221;&#204;           > 30 65 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CCDD106740, 16 bytes long.
 Data: < e &#221;&#204;           > 08 65 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CCDD107190, 16 bytes long.
 Data: <&#224;d &#221;&#204;           > E0 64 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002CCDD105D60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002CCDD107640, 16 bytes long.
 Data: <H&#208; &#221;&#204;           > 48 D0 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CCDD0FEBF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002CCDD106BF0, 16 bytes long.
 Data: < &#208; &#221;&#204;           > 20 D0 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002CCDD106880, 16 bytes long.
 Data: <&#248;&#207; &#221;&#204;           > F8 CF 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CCDD106BA0, 16 bytes long.
 Data: <&#208;&#207; &#221;&#204;           > D0 CF 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002CCDD1070A0, 16 bytes long.
 Data: <&#168;&#207; &#221;&#204;           > A8 CF 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CCDD106B50, 16 bytes long.
 Data: < &#207; &#221;&#204;           > 80 CF 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CCDD107050, 16 bytes long.
 Data: <X&#207; &#221;&#204;           > 58 CF 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CCDD0FEB90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002CCDD106C90, 16 bytes long.
 Data: <0&#207; &#221;&#204;           > 30 CF 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CCDD0ECF30, 320 bytes long.
 Data: < l &#221;&#204;    &#235; &#221;&#204;   > 90 6C 10 DD CC 02 00 00 90 EB 0F DD CC 02 00 00 
{274} normal block at 0x000002CCDD1074B0, 16 bytes long.
 Data: <&#192;d &#221;&#204;           > C0 64 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CCDD107370, 16 bytes long.
 Data: < d &#221;&#204;           > 98 64 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002CCDD0FEFB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002CCDD107000, 16 bytes long.
 Data: <pd &#221;&#204;           > 70 64 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CCDD0FE950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002CCDD106F60, 16 bytes long.
 Data: <&#184;c &#221;&#204;           > B8 63 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CCDD106FB0, 16 bytes long.
 Data: < c &#221;&#204;           > 90 63 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002CCDD107500, 16 bytes long.
 Data: <hc &#221;&#204;           > 68 63 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CCDD1072D0, 16 bytes long.
 Data: <@c &#221;&#204;           > 40 63 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CCDD106B00, 16 bytes long.
 Data: < c &#221;&#204;           > 18 63 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CCDD1011D0, 16 bytes long.
 Data: <&#240;b &#221;&#204;           > F0 62 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CCDD101090, 16 bytes long.
 Data: <&#192;Z &#221;&#204;           > C0 5A 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002CCDD105AC0, 40 bytes long.
 Data: <   &#221;&#204;   @f&#240;&#222;&#204;   > 90 10 10 DD CC 02 00 00 40 66 F0 DE CC 02 00 00 
{260} normal block at 0x000002CCDD101310, 16 bytes long.
 Data: <&#208;b &#221;&#204;           > D0 62 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CCDD101040, 16 bytes long.
 Data: <&#168;b &#221;&#204;           > A8 62 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002CCDD0FF1F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002CCDD100FF0, 16 bytes long.
 Data: < b &#221;&#204;           > 80 62 10 DD CC 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002CCDD106280, 992 bytes long.
 Data: <&#240;  &#221;&#204;   &#240;&#241; &#221;&#204;   > F0 0F 10 DD CC 02 00 00 F0 F1 0F DD CC 02 00 00 
{92} normal block at 0x000002CCDD0FF250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002CCDD101D60, 16 bytes long.
 Data: <&#240;&#226; &#221;&#204;           > F0 E2 0E DD CC 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002CCDD0EE2F0, 40 bytes long.
 Data: <`  &#221;&#204;   P&#242; &#221;&#204;   > 60 1D 10 DD CC 02 00 00 50 F2 0F DD CC 02 00 00 
{69} normal block at 0x000002CCDD101B80, 16 bytes long.
 Data: < &#234;&#165;&#199;&#247;           > 80 EA A5 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002CCDD1017C0, 16 bytes long.
 Data: <@&#233;&#165;&#199;&#247;           > 40 E9 A5 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002CCDD101B30, 16 bytes long.
 Data: <&#248;W&#162;&#199;&#247;           > F8 57 A2 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CCDD101540, 16 bytes long.
 Data: <&#216;W&#162;&#199;&#247;           > D8 57 A2 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002CCDD101900, 16 bytes long.
 Data: <P &#162;&#199;&#247;           > 50 04 A2 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CCDD101AE0, 16 bytes long.
 Data: <0 &#162;&#199;&#247;           > 30 04 A2 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CCDD1016D0, 16 bytes long.
 Data: <&#224; &#162;&#199;&#247;           > E0 02 A2 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CCDD100E10, 16 bytes long.
 Data: <  &#162;&#199;&#247;           > 10 04 A2 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CCDD100EB0, 16 bytes long.
 Data: <p &#162;&#199;&#247;           > 70 04 A2 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CCDD100FA0, 16 bytes long.
 Data: < &#192;&#160;&#199;&#247;           > 18 C0 A0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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