Task 38688440

Name test_803-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8253_0
Workunit 31629792
Created 28 Oct 2026, 13:56:40 UTC
Sent 28 Oct 2026, 13:56:44 UTC
Report deadline 2 Nov 2026, 13:56:44 UTC
Received 28 Oct 2026, 15:02:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616686
Run time 57 min 42 sec
CPU time 42 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,849.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.94 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:05:44 (41496): wrapper (7.9.26016): starting
10:05:44 (41496): 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
10:05:46 (41496): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:05:46 (41496): 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:\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 'D:\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: Exiting with failure status due to previous errors
11:01:32 (41496): C:/Windows/system32/cmd.exe exited; CPU time 2544.171875
11:01:32 (41496): 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: 97728675 bytes.
Dumping objects ->
{3835431} normal block at 0x0000023E990D6C90, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835420} normal block at 0x0000023E990D5FE0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x0000023E990D6E50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835398} normal block at 0x0000023E973B1400, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835387} normal block at 0x0000023E973B1390, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835356} normal block at 0x0000023E98FBC580, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835343} normal block at 0x0000023E973AB7C0, 8 bytes long.
 Data: <  &#209; >   > 00 00 D1 98 3E 02 00 00 
{3833957} normal block at 0x0000023E973AAEB0, 8 bytes long.
 Data: <`&#196;9&#151;>   > 60 C4 39 97 3E 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023E9739F870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023E9739B0C0, 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 0x0000023E973B35B0, 16 bytes long.
 Data: <8C;&#151;>           > 38 43 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023E973B34C0, 16 bytes long.
 Data: < C;&#151;>           > 10 43 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023E973AD0D0, 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 0x0000023E973B3B00, 16 bytes long.
 Data: <&#232;B;&#151;>           > E8 42 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023E973B3AB0, 16 bytes long.
 Data: <&#192;B;&#151;>           > C0 42 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023E973B39C0, 16 bytes long.
 Data: < B;&#151;>           > 98 42 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023E973B3830, 16 bytes long.
 Data: <pB;&#151;>           > 70 42 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023E973B14E0, 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 0x0000023E973B3330, 16 bytes long.
 Data: < &#224;9&#151;>           > 18 E0 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023E973AD9D0, 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 0x0000023E973B36F0, 16 bytes long.
 Data: <&#240;&#223;9&#151;>           > F0 DF 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023E973B3BA0, 16 bytes long.
 Data: <&#200;&#223;9&#151;>           > C8 DF 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023E973B3A60, 16 bytes long.
 Data: <&#160;&#223;9&#151;>           > A0 DF 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023E973B3600, 16 bytes long.
 Data: <x&#223;9&#151;>           > 78 DF 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023E973B36A0, 16 bytes long.
 Data: <P&#223;9&#151;>           > 50 DF 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023E973B3420, 16 bytes long.
 Data: <(&#223;9&#151;>           > 28 DF 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023E973ACFB0, 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 0x0000023E973B32E0, 16 bytes long.
 Data: < &#223;9&#151;>           > 00 DF 39 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023E9739DF00, 320 bytes long.
 Data: <&#224;2;&#151;>   &#176;&#207;:&#151;>   > E0 32 3B 97 3E 02 00 00 B0 CF 3A 97 3E 02 00 00 
{274} normal block at 0x0000023E973B38D0, 16 bytes long.
 Data: <PB;&#151;>           > 50 42 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023E973B3880, 16 bytes long.
 Data: <(B;&#151;>           > 28 42 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023E973ADD30, 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 0x0000023E973B3560, 16 bytes long.
 Data: < B;&#151;>           > 00 42 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023E973AD070, 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 0x0000023E973B3290, 16 bytes long.
 Data: <HA;&#151;>           > 48 41 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023E973B30B0, 16 bytes long.
 Data: < A;&#151;>           > 20 41 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023E973B3B50, 16 bytes long.
 Data: <&#248;@;&#151;>           > F8 40 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023E973B3970, 16 bytes long.
 Data: <&#208;@;&#151;>           > D0 40 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023E973B3510, 16 bytes long.
 Data: <&#168;@;&#151;>           > A8 40 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023E973B2D40, 16 bytes long.
 Data: < @;&#151;>           > 80 40 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023E973B3A10, 16 bytes long.
 Data: <  ;&#151;>           > 80 17 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023E973B1780, 40 bytes long.
 Data: < :;&#151;>    &#197;&#251; >   > 10 3A 3B 97 3E 02 00 00 80 C5 FB 98 3E 02 00 00 
{260} normal block at 0x0000023E973B37E0, 16 bytes long.
 Data: <`@;&#151;>           > 60 40 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023E973B31F0, 16 bytes long.
 Data: <8@;&#151;>           > 38 40 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023E973ACEF0, 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 0x0000023E973B3240, 16 bytes long.
 Data: < @;&#151;>           > 10 40 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023E973B4010, 992 bytes long.
 Data: <@2;&#151;>   &#240;&#206;:&#151;>   > 40 32 3B 97 3E 02 00 00 F0 CE 3A 97 3E 02 00 00 
{92} normal block at 0x0000023E973AD550, 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 0x0000023E973AB130, 16 bytes long.
 Data: <0 ;&#151;>           > 30 16 3B 97 3E 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000023E973B1630, 40 bytes long.
 Data: <0&#177;:&#151;>   P&#213;:&#151;>   > 30 B1 3A 97 3E 02 00 00 50 D5 3A 97 3E 02 00 00 
{69} normal block at 0x0000023E973AAC80, 16 bytes long.
 Data: < &#234;YF&#247;           > 80 EA 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023E973AB040, 16 bytes long.
 Data: <@&#233;YF&#247;           > 40 E9 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023E973ABA90, 16 bytes long.
 Data: <&#248;WVF&#247;           > F8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023E973AB360, 16 bytes long.
 Data: <&#216;WVF&#247;           > D8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023E973AB720, 16 bytes long.
 Data: <P VF&#247;           > 50 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023E973AB4A0, 16 bytes long.
 Data: <0 VF&#247;           > 30 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023E973AB900, 16 bytes long.
 Data: <&#224; VF&#247;           > E0 02 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023E973AAC30, 16 bytes long.
 Data: <  VF&#247;           > 10 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023E973AAB40, 16 bytes long.
 Data: <p VF&#247;           > 70 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023E973AAD70, 16 bytes long.
 Data: < &#192;TF&#247;           > 18 C0 54 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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