Task 38684604

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8511_0
Workunit 31626112
Created 27 Oct 2026, 17:07:59 UTC
Sent 27 Oct 2026, 17:08:02 UTC
Report deadline 1 Nov 2026, 17:08:02 UTC
Received 27 Oct 2026, 18:49:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616686
Run time 58 min 2 sec
CPU time 43 min
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 738.29 MB
Peak swap size 9.92 GB
Peak disk usage 4.21 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:53:46 (52176): wrapper (7.9.26016): starting
13:53:46 (52176): 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
13:53:48 (52176): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:53:48 (52176): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:49:46 (52176): C:/Windows/system32/cmd.exe exited; CPU time 2580.375000
14:49:46 (52176): 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: 94394815 bytes.
Dumping objects ->
{3835431} normal block at 0x0000019E71AB5510, 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 0x0000019E71AB50B0, 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 0x0000019E71AB5190, 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 0x0000019E6FDE13A0, 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 0x0000019E6FDE0FB0, 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 0x0000019E7199BCC0, 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 0x0000019E6FDDB540, 8 bytes long.
 Data: <  {q&#158;   > 00 00 7B 71 9E 01 00 00 
{3833957} normal block at 0x0000019E6FDDBAE0, 8 bytes long.
 Data: < &#197;&#220;o&#158;   > 00 C5 DC 6F 9E 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000019E6FDCFCD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019E6FDD0450, 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 0x0000019E6FDE37B0, 16 bytes long.
 Data: <&#232;A&#222;o&#158;           > E8 41 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019E6FDE30D0, 16 bytes long.
 Data: <&#192;A&#222;o&#158;           > C0 41 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019E6FDDDCB0, 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 0x0000019E6FDE3670, 16 bytes long.
 Data: < A&#222;o&#158;           > 98 41 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019E6FDE3080, 16 bytes long.
 Data: <pA&#222;o&#158;           > 70 41 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019E6FDE2E50, 16 bytes long.
 Data: <HA&#222;o&#158;           > 48 41 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019E6FDE2AE0, 16 bytes long.
 Data: < A&#222;o&#158;           > 20 41 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019E6FDE1170, 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 0x0000019E6FDE3030, 16 bytes long.
 Data: <&#184;&#224;&#220;o&#158;           > B8 E0 DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019E6FDDD170, 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 0x0000019E6FDE33A0, 16 bytes long.
 Data: < &#224;&#220;o&#158;           > 90 E0 DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019E6FDE32B0, 16 bytes long.
 Data: <h&#224;&#220;o&#158;           > 68 E0 DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019E6FDE3260, 16 bytes long.
 Data: <@&#224;&#220;o&#158;           > 40 E0 DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019E6FDE38A0, 16 bytes long.
 Data: < &#224;&#220;o&#158;           > 18 E0 DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019E6FDE2D60, 16 bytes long.
 Data: <&#240;&#223;&#220;o&#158;           > F0 DF DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019E6FDE3850, 16 bytes long.
 Data: <&#200;&#223;&#220;o&#158;           > C8 DF DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019E6FDDD050, 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 0x0000019E6FDE3620, 16 bytes long.
 Data: <&#160;&#223;&#220;o&#158;           > A0 DF DC 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019E6FDCDFA0, 320 bytes long.
 Data: < 6&#222;o&#158;   P&#208;&#221;o&#158;   > 20 36 DE 6F 9E 01 00 00 50 D0 DD 6F 9E 01 00 00 
{274} normal block at 0x0000019E6FDE3120, 16 bytes long.
 Data: < A&#222;o&#158;           > 00 41 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019E6FDE3710, 16 bytes long.
 Data: <&#216;@&#222;o&#158;           > D8 40 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019E6FDDD350, 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 0x0000019E6FDE31C0, 16 bytes long.
 Data: <&#176;@&#222;o&#158;           > B0 40 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019E6FDDDA70, 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 0x0000019E6FDE2F90, 16 bytes long.
 Data: <&#248;?&#222;o&#158;           > F8 3F DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019E6FDE3350, 16 bytes long.
 Data: <&#208;?&#222;o&#158;           > D0 3F DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019E6FDE2FE0, 16 bytes long.
 Data: <&#168;?&#222;o&#158;           > A8 3F DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019E6FDE2CC0, 16 bytes long.
 Data: < ?&#222;o&#158;           > 80 3F DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019E6FDE2EF0, 16 bytes long.
 Data: <X?&#222;o&#158;           > 58 3F DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019E6FDE29A0, 16 bytes long.
 Data: <0?&#222;o&#158;           > 30 3F DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019E6FDE3580, 16 bytes long.
 Data: <  &#222;o&#158;           > 10 14 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019E6FDE1410, 40 bytes long.
 Data: < 5&#222;o&#158;   &#192;&#188; q&#158;   > 80 35 DE 6F 9E 01 00 00 C0 BC 99 71 9E 01 00 00 
{260} normal block at 0x0000019E6FDE2EA0, 16 bytes long.
 Data: < ?&#222;o&#158;           > 10 3F DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019E6FDE2B30, 16 bytes long.
 Data: <&#232;>&#222;o&#158;           > E8 3E DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019E6FDDD410, 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 0x0000019E6FDE3210, 16 bytes long.
 Data: <&#192;>&#222;o&#158;           > C0 3E DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019E6FDE3EC0, 992 bytes long.
 Data: < 2&#222;o&#158;    &#212;&#221;o&#158;   > 10 32 DE 6F 9E 01 00 00 10 D4 DD 6F 9E 01 00 00 
{92} normal block at 0x0000019E6FDDDAD0, 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 0x0000019E6FDDB4A0, 16 bytes long.
 Data: <  &#222;o&#158;           > 00 11 DE 6F 9E 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000019E6FDE1100, 40 bytes long.
 Data: <&#160;&#180;&#221;o&#158;   &#208;&#218;&#221;o&#158;   > A0 B4 DD 6F 9E 01 00 00 D0 DA DD 6F 9E 01 00 00 
{69} normal block at 0x0000019E6FDDAD20, 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 0x0000019E6FDDB900, 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 0x0000019E6FDDB9A0, 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 0x0000019E6FDDB590, 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 0x0000019E6FDDAF50, 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 0x0000019E6FDDB3B0, 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 0x0000019E6FDDB8B0, 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 0x0000019E6FDDB4F0, 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 0x0000019E6FDDAF00, 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 0x0000019E6FDDB950, 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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