Task 38674831

Name test_363-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1539_1
Workunit 31616816
Created 26 Oct 2026, 6:27:41 UTC
Sent 26 Oct 2026, 6:27:52 UTC
Report deadline 31 Oct 2026, 6:27:52 UTC
Received 26 Oct 2026, 7:30:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648094
Run time 20 min 43 sec
CPU time 19 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.73 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:07:02 (10420): wrapper (7.9.26016): starting
02:07:02 (10420): 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
02:07:03 (10420): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:07:03 (10420): 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
02:27:12 (10420): C:/Windows/system32/cmd.exe exited; CPU time 1167.875000
02:27:12 (10420): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14611259 bytes.
Dumping objects ->
{3835569} normal block at 0x000001B3A3793AD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001B3A3793E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001B3A3793BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001B3A3793B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001B3A37941D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001B3A54F67F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001B3A377D750, 235 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) : {3835480} normal block at 0x000001B3A378E3A0, 8 bytes long.
 Data: <  /&#165;&#179;   > 00 00 2F A5 B3 01 00 00 
{3834703} normal block at 0x000001B3A377D620, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001B3A378E8A0, 8 bytes long.
 Data: <PDU&#165;&#179;   > 50 44 55 A5 B3 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B3A3790500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B3A3785F50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001B3A3794D00, 16 bytes long.
 Data: < ]y&#163;&#179;           > 08 5D 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B3A37952A0, 16 bytes long.
 Data: <&#224;\y&#163;&#179;           > E0 5C 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B3A378FF30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001B3A3794760, 16 bytes long.
 Data: <&#184;\y&#163;&#179;           > B8 5C 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B3A3795430, 16 bytes long.
 Data: < \y&#163;&#179;           > 90 5C 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B3A3794620, 16 bytes long.
 Data: <h\y&#163;&#179;           > 68 5C 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B3A3795520, 16 bytes long.
 Data: <@\y&#163;&#179;           > 40 5C 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B3A377EDA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001B3A3794F80, 16 bytes long.
 Data: <8&#237;w&#163;&#179;           > 38 ED 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B3A378FC30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001B3A3795570, 16 bytes long.
 Data: < &#237;w&#163;&#179;           > 10 ED 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B3A3794A80, 16 bytes long.
 Data: <&#232;&#236;w&#163;&#179;           > E8 EC 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B3A3794B70, 16 bytes long.
 Data: <&#192;&#236;w&#163;&#179;           > C0 EC 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B3A37950C0, 16 bytes long.
 Data: < &#236;w&#163;&#179;           > 98 EC 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B3A3795250, 16 bytes long.
 Data: <p&#236;w&#163;&#179;           > 70 EC 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B3A3794BC0, 16 bytes long.
 Data: <H&#236;w&#163;&#179;           > 48 EC 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B3A378F750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001B3A37949E0, 16 bytes long.
 Data: < &#236;w&#163;&#179;           > 20 EC 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B3A377EC20, 320 bytes long.
 Data: <&#224;Iy&#163;&#179;   P&#247;x&#163;&#179;   > E0 49 79 A3 B3 01 00 00 50 F7 78 A3 B3 01 00 00 
{273} normal block at 0x000001B3A3794F30, 16 bytes long.
 Data: < \y&#163;&#179;           > 20 5C 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B3A3794E40, 16 bytes long.
 Data: <&#248;[y&#163;&#179;           > F8 5B 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B3A378F6F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001B3A3794EE0, 16 bytes long.
 Data: <&#208;[y&#163;&#179;           > D0 5B 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B3A378F510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001B3A3794710, 16 bytes long.
 Data: < [y&#163;&#179;           > 18 5B 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B3A37946C0, 16 bytes long.
 Data: <&#240;Zy&#163;&#179;           > F0 5A 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B3A3795070, 16 bytes long.
 Data: <&#200;Zy&#163;&#179;           > C8 5A 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B3A37948A0, 16 bytes long.
 Data: <&#160;Zy&#163;&#179;           > A0 5A 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B3A3794DF0, 16 bytes long.
 Data: <xZy&#163;&#179;           > 78 5A 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B3A3795160, 16 bytes long.
 Data: <PZy&#163;&#179;           > 50 5A 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B3A37953E0, 16 bytes long.
 Data: <&#224;4x&#163;&#179;           > E0 34 78 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B3A37834E0, 40 bytes long.
 Data: <&#224;Sy&#163;&#179;   &#240;gO&#165;&#179;   > E0 53 79 A3 B3 01 00 00 F0 67 4F A5 B3 01 00 00 
{259} normal block at 0x000001B3A3794DA0, 16 bytes long.
 Data: <0Zy&#163;&#179;           > 30 5A 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B3A37952F0, 16 bytes long.
 Data: < Zy&#163;&#179;           > 08 5A 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B3A378F2D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001B3A3795110, 16 bytes long.
 Data: <&#224;Yy&#163;&#179;           > E0 59 79 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B3A37959E0, 992 bytes long.
 Data: < Qy&#163;&#179;   &#208;&#242;x&#163;&#179;   > 10 51 79 A3 B3 01 00 00 D0 F2 78 A3 B3 01 00 00 
{91} normal block at 0x000001B3A378F810, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001B3A378E800, 16 bytes long.
 Data: <0&#205;w&#163;&#179;           > 30 CD 77 A3 B3 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001B3A377CD30, 40 bytes long.
 Data: < &#232;x&#163;&#179;    &#248;x&#163;&#179;   > 00 E8 78 A3 B3 01 00 00 10 F8 78 A3 B3 01 00 00 
{68} normal block at 0x000001B3A378EAD0, 16 bytes long.
 Data: < &#234; &#222;&#246;           > 80 EA 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B3A378E670, 16 bytes long.
 Data: <@&#233; &#222;&#246;           > 40 E9 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B3A378E9E0, 16 bytes long.
 Data: <&#248;W &#222;&#246;           > F8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B3A378ED00, 16 bytes long.
 Data: <&#216;W &#222;&#246;           > D8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B3A378E850, 16 bytes long.
 Data: <P  &#222;&#246;           > 50 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B3A378E620, 16 bytes long.
 Data: <0  &#222;&#246;           > 30 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B3A378E260, 16 bytes long.
 Data: <&#224;  &#222;&#246;           > E0 02 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B3A378E710, 16 bytes long.
 Data: <   &#222;&#246;           > 10 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B3A378E490, 16 bytes long.
 Data: <p  &#222;&#246;           > 70 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B3A378E440, 16 bytes long.
 Data: < &#192; &#222;&#246;           > 18 C0 0A DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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