Task 38687297

Name test_133-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5151_0
Workunit 31628691
Created 28 Oct 2026, 7:00:49 UTC
Sent 28 Oct 2026, 7:00:52 UTC
Report deadline 2 Nov 2026, 7:00:52 UTC
Received 28 Oct 2026, 10:26:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 39 min 44 sec
CPU time 37 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.88 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
10:47:31 (18764): wrapper (7.9.26016): starting
10:47:31 (18764): 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
10:47:32 (18764): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:47:32 (18764): 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\6\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\6\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
11:25:44 (18764): C:/Windows/system32/cmd.exe exited; CPU time 2253.234375
11:25:44 (18764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 39091847 bytes.
Dumping objects ->
{3835240} normal block at 0x00000189585C4590, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000189585C4600, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000189585C4440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000189585C4B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000189585C49F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000001895A2C6F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001895861C200, 144 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) : {3835151} normal block at 0x00000189585BED00, 8 bytes long.
 Data: <  &#193;X&#137;   > 00 00 C1 58 89 01 00 00 
{3834552} normal block at 0x000001895861B1C0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000189585BF0C0, 8 bytes long.
 Data: < I2Z&#137;   > 90 49 32 5A 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000189585C1180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000189585B5B70, 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 0x00000189585C5310, 16 bytes long.
 Data: < f\X&#137;           > 18 66 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000189585C60D0, 16 bytes long.
 Data: <&#240;e\X&#137;           > F0 65 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000189585C02D0, 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 0x00000189585C5CC0, 16 bytes long.
 Data: <&#200;e\X&#137;           > C8 65 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000189585C5E00, 16 bytes long.
 Data: <&#160;e\X&#137;           > A0 65 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000189585C5B80, 16 bytes long.
 Data: <xe\X&#137;           > 78 65 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000189585C5DB0, 16 bytes long.
 Data: <Pe\X&#137;           > 50 65 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000189585C4830, 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 0x00000189585C5360, 16 bytes long.
 Data: <H&#180;ZX&#137;           > 48 B4 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000189585BF5B0, 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 0x00000189585C5E50, 16 bytes long.
 Data: < &#180;ZX&#137;           > 20 B4 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000189585C5220, 16 bytes long.
 Data: <&#248;&#179;ZX&#137;           > F8 B3 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000189585C5B30, 16 bytes long.
 Data: <&#208;&#179;ZX&#137;           > D0 B3 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000189585C5630, 16 bytes long.
 Data: <&#168;&#179;ZX&#137;           > A8 B3 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000189585C5EF0, 16 bytes long.
 Data: < &#179;ZX&#137;           > 80 B3 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000189585C5860, 16 bytes long.
 Data: <X&#179;ZX&#137;           > 58 B3 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000189585BFF70, 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 0x00000189585C53B0, 16 bytes long.
 Data: <0&#179;ZX&#137;           > 30 B3 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000189585AB330, 320 bytes long.
 Data: <&#176;S\X&#137;   p&#255;[X&#137;   > B0 53 5C 58 89 01 00 00 70 FF 5B 58 89 01 00 00 
{274} normal block at 0x00000189585C5A90, 16 bytes long.
 Data: <0e\X&#137;           > 30 65 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000189585C5F40, 16 bytes long.
 Data: < e\X&#137;           > 08 65 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000189585BF7F0, 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 0x00000189585C5950, 16 bytes long.
 Data: <&#224;d\X&#137;           > E0 64 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000189585BF790, 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 0x00000189585C58B0, 16 bytes long.
 Data: <(d\X&#137;           > 28 64 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000189585C5900, 16 bytes long.
 Data: < d\X&#137;           > 00 64 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000189585C5C20, 16 bytes long.
 Data: <&#216;c\X&#137;           > D8 63 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000189585C57C0, 16 bytes long.
 Data: <&#176;c\X&#137;           > B0 63 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000189585C51D0, 16 bytes long.
 Data: < c\X&#137;           > 88 63 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000189585C5D60, 16 bytes long.
 Data: <`c\X&#137;           > 60 63 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000189585C5A40, 16 bytes long.
 Data: <&#192;G\X&#137;           > C0 47 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000189585C47C0, 40 bytes long.
 Data: <@Z\X&#137;    o,Z&#137;   > 40 5A 5C 58 89 01 00 00 80 6F 2C 5A 89 01 00 00 
{260} normal block at 0x00000189585C5540, 16 bytes long.
 Data: <@c\X&#137;           > 40 63 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000189585C5EA0, 16 bytes long.
 Data: < c\X&#137;           > 18 63 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000189585BF730, 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 0x00000189585C59F0, 16 bytes long.
 Data: <&#240;b\X&#137;           > F0 62 5C 58 89 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000189585C62F0, 992 bytes long.
 Data: <&#240;Y\X&#137;   0&#247;[X&#137;   > F0 59 5C 58 89 01 00 00 30 F7 5B 58 89 01 00 00 
{92} normal block at 0x00000189585BF850, 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 0x00000189585BF070, 16 bytes long.
 Data: <p&#245;ZX&#137;           > 70 F5 5A 58 89 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000189585AF570, 40 bytes long.
 Data: <p&#240;[X&#137;   P&#248;[X&#137;   > 70 F0 5B 58 89 01 00 00 50 F8 5B 58 89 01 00 00 
{69} normal block at 0x00000189585BEB20, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000189585BEF30, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000189585BF1B0, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000189585BE9E0, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000189585BEEE0, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000189585BEC10, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000189585BF110, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000189585BEA80, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000189585BEF80, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000189585BF2F0, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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