Task 38683510

Name test_651-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8236_0
Workunit 31625064
Created 27 Oct 2026, 12:05:06 UTC
Sent 27 Oct 2026, 12:05:17 UTC
Report deadline 1 Nov 2026, 12:05:17 UTC
Received 27 Oct 2026, 12:42:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648841
Run time 17 min 11 sec
CPU time 15 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,709.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.97 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:25:31 (8828): wrapper (7.9.26016): starting
13:25:31 (8828): 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
13:25:32 (8828): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:25:32 (8828): 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\23\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\23\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
13:42:02 (8828): C:/Windows/system32/cmd.exe exited; CPU time 953.781250
13:42:02 (8828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 24465343 bytes.
Dumping objects ->
{3835552} normal block at 0x00000293F58FE270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835541} normal block at 0x00000293F58FF150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835530} normal block at 0x00000293F3B25CB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835519} normal block at 0x00000293F3B25C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x00000293F3B261F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835477} normal block at 0x00000293F594B410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x00000293F595FE20, 102 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) : {3835463} normal block at 0x00000293F3B1FC00, 8 bytes long.
 Data: <   &#244;&#147;   > 00 00 0A F4 93 02 00 00 
{3834688} normal block at 0x00000293F595F530, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000293F3B1FB60, 8 bytes long.
 Data: <&#160;&#233;&#191;&#243;&#147;   > A0 E9 BF F3 93 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000293F3B21B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000293F3B0F740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000293F3B26A50, 16 bytes long.
 Data: <Xv&#178;&#243;&#147;           > 58 76 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000293F3B27040, 16 bytes long.
 Data: <0v&#178;&#243;&#147;           > 30 76 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000293F3B212F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000293F3B26500, 16 bytes long.
 Data: < v&#178;&#243;&#147;           > 08 76 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000293F3B26F50, 16 bytes long.
 Data: <&#224;u&#178;&#243;&#147;           > E0 75 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000293F3B26870, 16 bytes long.
 Data: <&#184;u&#178;&#243;&#147;           > B8 75 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000293F3B264B0, 16 bytes long.
 Data: < u&#178;&#243;&#147;           > 90 75 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000293F3B26260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000293F3B27130, 16 bytes long.
 Data: < &#183;&#176;&#243;&#147;           > 08 B7 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000293F3B216B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000293F3B271D0, 16 bytes long.
 Data: <&#224;&#182;&#176;&#243;&#147;           > E0 B6 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000293F3B269B0, 16 bytes long.
 Data: <&#184;&#182;&#176;&#243;&#147;           > B8 B6 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000293F3B27270, 16 bytes long.
 Data: < &#182;&#176;&#243;&#147;           > 90 B6 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000293F3B26DC0, 16 bytes long.
 Data: <h&#182;&#176;&#243;&#147;           > 68 B6 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000293F3B27180, 16 bytes long.
 Data: <@&#182;&#176;&#243;&#147;           > 40 B6 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000293F3B26820, 16 bytes long.
 Data: < &#182;&#176;&#243;&#147;           > 18 B6 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000293F3B208D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000293F3B26E10, 16 bytes long.
 Data: <&#240;&#181;&#176;&#243;&#147;           > F0 B5 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000293F3B0B5F0, 320 bytes long.
 Data: < n&#178;&#243;&#147;   &#208; &#178;&#243;&#147;   > 10 6E B2 F3 93 02 00 00 D0 08 B2 F3 93 02 00 00 
{277} normal block at 0x00000293F3B26730, 16 bytes long.
 Data: <pu&#178;&#243;&#147;           > 70 75 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000293F3B26690, 16 bytes long.
 Data: <Hu&#178;&#243;&#147;           > 48 75 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000293F3B20810, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000293F3B26A00, 16 bytes long.
 Data: < u&#178;&#243;&#147;           > 20 75 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000293F3B20CF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000293F3B270E0, 16 bytes long.
 Data: <ht&#178;&#243;&#147;           > 68 74 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000293F3B266E0, 16 bytes long.
 Data: <@t&#178;&#243;&#147;           > 40 74 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000293F3B26410, 16 bytes long.
 Data: < t&#178;&#243;&#147;           > 18 74 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000293F3B26FA0, 16 bytes long.
 Data: <&#240;s&#178;&#243;&#147;           > F0 73 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000293F3B26B90, 16 bytes long.
 Data: <&#200;s&#178;&#243;&#147;           > C8 73 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000293F3B267D0, 16 bytes long.
 Data: <&#160;s&#178;&#243;&#147;           > A0 73 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000293F3B26780, 16 bytes long.
 Data: < ]&#178;&#243;&#147;           > 20 5D B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000293F3B25D20, 40 bytes long.
 Data: < g&#178;&#243;&#147;    &#180;&#148;&#245;&#147;   > 80 67 B2 F3 93 02 00 00 10 B4 94 F5 93 02 00 00 
{263} normal block at 0x00000293F3B26460, 16 bytes long.
 Data: < s&#178;&#243;&#147;           > 80 73 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000293F3B268C0, 16 bytes long.
 Data: <Xs&#178;&#243;&#147;           > 58 73 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000293F3B21050, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000293F3B26D70, 16 bytes long.
 Data: <0s&#178;&#243;&#147;           > 30 73 B2 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000293F3B27330, 992 bytes long.
 Data: <pm&#178;&#243;&#147;   P &#178;&#243;&#147;   > 70 6D B2 F3 93 02 00 00 50 10 B2 F3 93 02 00 00 
{95} normal block at 0x00000293F3B21110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000293F3B1FBB0, 16 bytes long.
 Data: < &#229;&#176;&#243;&#147;           > 90 E5 B0 F3 93 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000293F3B0E590, 40 bytes long.
 Data: <&#176;&#251;&#177;&#243;&#147;     &#178;&#243;&#147;   > B0 FB B1 F3 93 02 00 00 10 11 B2 F3 93 02 00 00 
{72} normal block at 0x00000293F3B1F7A0, 16 bytes long.
 Data: < &#234;&#161;&#241;&#247;           > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000293F3B20470, 16 bytes long.
 Data: <@&#233;&#161;&#241;&#247;           > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000293F3B1F8E0, 16 bytes long.
 Data: <&#248;W&#158;&#241;&#247;           > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000293F3B20010, 16 bytes long.
 Data: <&#216;W&#158;&#241;&#247;           > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000293F3B1FA20, 16 bytes long.
 Data: <P &#158;&#241;&#247;           > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000293F3B1FE80, 16 bytes long.
 Data: <0 &#158;&#241;&#247;           > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000293F3B1FC50, 16 bytes long.
 Data: <&#224; &#158;&#241;&#247;           > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000293F3B20560, 16 bytes long.
 Data: <  &#158;&#241;&#247;           > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000293F3B206F0, 16 bytes long.
 Data: <p &#158;&#241;&#247;           > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000293F3B201F0, 16 bytes long.
 Data: < &#192;&#156;&#241;&#247;           > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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